Title stringlengths 2 865 ⌀ | IUPAC stringlengths 3 2.48k ⌀ | InChI stringlengths 10 3.59k ⌀ | InChI_key stringlengths 27 27 ⌀ | SMILES stringlengths 1 1.45k ⌀ | Date stringdate 2004-09-16 00:00:00 2025-01-24 00:00:00 ⌀ | Synonym stringlengths 4 256k ⌀ | MeSH stringlengths 3 228 | __index_level_0__ int64 1 173M |
|---|---|---|---|---|---|---|---|---|
7-(2-Chloroethyl)theophylline | 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione | InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3 | QCIARNIKNKKHFH-UHFFFAOYSA-N | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl | 2005-03-25 | 7-(2-Chloroethyl)theophylline|5878-61-5|Benaphyllin|Eupnophile|7-(Chloroethyl)theophylline|7-(2-Chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|Theophylline, 7-(2-chloroethyl)-|beta-Chloroethyltheophylline|.beta.-Chloroethyltheophylline|NSC 337614|7-(beta-Chlorethyl)theophylline|7-(beta-Chloroethyl)theophylline|7-... | 7-(2-chloroethyl)theophylline | 1,882 |
7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13) | NVIAYEIXYQCDAN-UHFFFAOYSA-N | CC1=C(N2C(C(C2=O)N)SC1)C(=O)O | 2005-03-25 | 26395-99-3|7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-Amino-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-ADCA|5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-|7 adca|MFCD00151456|MFCD00051489|SCHEMBL106017|CHEMBL1161451|DTXSID3... | 7-aminodesacetoxycephalosporanic acid | 1,883 |
7-Chlorokynurenic acid | 7-chloro-4-oxo-1H-quinoline-2-carboxylic acid | InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15) | UAWVRVFHMOSAPU-UHFFFAOYSA-N | C1=CC2=C(C=C1Cl)NC(=CC2=O)C(=O)O | 2005-03-25 | 7-Chlorokynurenic acid|18000-24-3|7-Chloro-4-hydroxyquinoline-2-carboxylic acid|7-CKA|7CKA|7-Cl-KYNA|2-Quinolinecarboxylic acid, 7-chloro-4-hydroxy-|7-Chloro-kynurenic acid|7-chloro-4-hydroxy-2-carboxyquinoline|Kynurenic acid, 7-chloro-|EINECS 241-913-6|7-chloro-4-oxo-1H-quinoline-2-carboxylic acid|NSC 149792|NSC-14979... | 7-chlorokynurenic acid | 1,884 |
7-Hydroxyflavanone | 7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one | InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2 | SWAJPHCXKPCPQZ-UHFFFAOYSA-N | C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3 | 2005-03-25 | 7-Hydroxyflavanone|6515-36-2|7-Hydroxy-2-phenylchroman-4-one|7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one|MFCD00017487|CHEBI:34483|4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-phenyl-|CC64495H41|7-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one|CHEMBL97542|2,3-dihydro-7-hydroxy-2-phenyl-4H-1-benzopyran-4-one|FLAVANONE, ... | 7-hydroxyflavanone | 1,890 |
Etofylline | 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione | InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 | NWPRCRWQMGIBOT-UHFFFAOYSA-N | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO | 2005-03-25 | ETOFYLLINE|519-37-9|7-(2-Hydroxyethyl)theophylline|Aethophyllinum|Frekaphyllin|Oxyphylline|Soluphylline|Cordalin|Phyllocormin N|Ascorphylline|Dilaphyllin|Oxytheonyl|Oxyethyltheophylline|Sklerodormal|Bio-phylline|Corophyllin-N|Oxphylline (amido)|1,3-Dimethyl-7-(2-hydroxyethyl)xanthine|Oxyetophyllinum|Etofilina|Oxyphylli... | etofylline | 1,892 |
7-Nitroindazole | 7-nitro-1H-indazole | InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9) | PQCAUHUKTBHUSA-UHFFFAOYSA-N | C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2 | 2005-03-25 | 7-nitroindazole|7-Nitro-1H-indazole|2942-42-9|1H-Indazole, 7-nitro-|7-NI|7-nitro-indazole|CCRIS 3309|UX0N37CMVH|EINECS 220-934-4|MFCD00022789|NSC 72843|BRN 0006809|7-Nitro-2H-indazole|NSC-72843|NITROINDAZOLE, 7-|MLS000028452|CHEMBL247378|DTXSID30183638|SMR000058266|7NI|SR-01000075512|UNII-UX0N37CMVH|7-Nitroisoindazole|... | 7-nitroindazole | 1,893 |
7-[3-(Undeca-2,5-dien-1-yl)oxiran-2-yl]hept-5-enoic acid | 7-(3-undeca-2,5-dienyloxiran-2-yl)hept-5-enoic acid | InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22) | DBWQSCSXHFNTMO-UHFFFAOYSA-N | CCCCCC=CCC=CCC1C(O1)CC=CCCCC(=O)O | 2005-03-25 | 81246-85-7|7-[3-(undeca-2,5-dien-1-yl)oxiran-2-yl]hept-5-enoic acid|7-(3-undeca-2,5-dienyloxiran-2-yl)hept-5-enoic acid|8,9-epoxyeicosatrienoic acid|CBiol_001857|KBioGR_000201|KBioSS_000201|KBio2_000201|KBio2_002769|KBio2_005337|KBio3_000401|KBio3_000402|DTXSID80868605|Bio1_000143|Bio1_000632|Bio1_001121|Bio2_000201|Bi... | 8,9-epoxyeicosatrienoic acid | 1,901 |
8-AHA-cAMP | 6-[6-amino-8-(6-aminohexylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol | InChI=1S/C16H26N7O6P/c17-5-3-1-2-4-6-19-16-22-10-13(18)20-8-21-14(10)23(16)15-11(24)12-9(28-15)7-27-30(25,26)29-12/h8-9,11-12,15,24H,1-7,17H2,(H,19,22)(H,25,26)(H2,18,20,21) | WCWLOZYNRVLFOG-UHFFFAOYSA-N | C1C2C(C(C(O2)N3C4=NC=NC(=C4N=C3NCCCCCCN)N)O)OP(=O)(O1)O | 2005-03-25 | 8-AHA-cAMP|39824-30-1|SCHEMBL21581235|WCWLOZYNRVLFOG-UHFFFAOYSA-N|8-(6-aminohexyl)amino-cyclic AMP|8-[(6-Aminohexyl)amino]adenosine cyclic 3',5'-monophosphate | 8-aminohexylamino cAMP | 1,906 |
8-(4-Sulfophenyl)theophylline | 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid | InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22) | LXJSJIXZOAMHTG-UHFFFAOYSA-N | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O | 2005-03-25 | 8-(p-Sulfophenyl)theophylline|80206-91-3|Psp-theophylline|8-(4-Sulfophenyl)theophylline|8-Pspt|8-SPT|8-Sulfophenyltheophylline|8-Sulphophenyltheophylline|4-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid|4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid|CHEMBL8488|8(-p-Sulfophen... | 8-(4-sulfophenyl)theophylline | 1,908 |
Adenosine, 8-bromo-, cyclic 3',5'-(hydrogen phosphate) | 6-(6-amino-8-bromopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol | InChI=1S/C10H11BrN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14) | DVKQVRZMKBDMDH-UHFFFAOYSA-N | C1C2C(C(C(O2)N3C4=NC=NC(=C4N=C3Br)N)O)OP(=O)(O1)O | 2005-03-25 | 23583-48-4|Adenosine, 8-bromo-, cyclic 3',5'-(hydrogen phosphate)|6-(6-amino-8-bromopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol|SCHEMBL5951342|CHEBI:93872|DTXSID20860305|BCP25369|NSC171719|AKOS037646565|Bcamp;8-Br-cAMP;8-Bromo-cyclic AMP|AS-69614|PD033126|NS00051200|BRD-A5... | 8-Bromo Cyclic Adenosine Monophosphate | 1,913 |
8-Cyclopentyl-1,3-dimethylxanthine | 8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione | InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14) | SCVHFRLUNIOSGI-UHFFFAOYSA-N | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCCC3 | 2005-03-25 | 8-Cyclopentyl-1,3-dimethylxanthine|35873-49-5|8-cyclopentyltheophylline|8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione|8-Cyclopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|U7PWT4CPL5|CHEMBL106265|1H-Purine-2,6-dione, 8-cyclopentyl-3,7-dihydro-1,3-dimethyl-|NSC-101806|1,3-dimethyl-8-cyclopentylxanthine|8-Cyclopentyl th... | 8-cyclopentyl-1,3-dimethylxanthine | 1,917 |
8-Phenyltheophylline | 1,3-dimethyl-8-phenyl-7H-purine-2,6-dione | InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) | PJFMAVHETLRJHJ-UHFFFAOYSA-N | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3 | 2005-03-25 | 8-Phenyltheophylline|961-45-5|1,3-Dimethyl-8-phenylxanthine|1,3-dimethyl-8-phenyl-7H-purine-2,6-dione|Theophylline, 8-phenyl-|UNII-E6M543P3BL|NSC 14127|8-PHENYL THEOPHYLLINE|8-PT|E6M543P3BL|8-Phenyl-1,3-dimethylxanthine|NSC-14127|CHEMBL62350|DTXSID90242119|MFCD00005582|1,3-dimethyl-8-phenyl-3,9-dihydro-1h-purine-2,6-di... | 8-phenyltheophylline | 1,922 |
Oxyquinoline | quinolin-8-ol | InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H | MCJGNVYPOGVAJF-UHFFFAOYSA-N | C1=CC2=C(C(=C1)O)N=CC=C2 | 2005-03-25 | 8-HYDROXYQUINOLINE|quinolin-8-ol|148-24-3|8-quinolinol|Oxyquinoline|Oxine|Quinophenol|Oxychinolin|8-Quinol|8-Oxyquinoline|Phenopyridine|Oxin|Oxybenzopyridine|Hydroxybenzopyridine|1-Azanaphthalene-8-ol|8-Hydroxychinolin|Bioquin|Tumex|8-Chinolinol|8-Hydroxy-chinolin|Fennosan H 30|8-OQ|Fennosan|Oxyquinol|o-Oxychinolin|Usa... | Oxyquinoline | 1,923 |
9-Hydroxy-10,12-octadecadienoic acid | 9-hydroxyoctadeca-10,12-dienoic acid | InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21) | NPDSHTNEKLQQIJ-UHFFFAOYSA-N | CCCCCC=CC=CC(CCCCCCCC(=O)O)O | 2005-03-25 | 9-hydroxyoctadeca-10,12-dienoic acid|9-hydroxy-10,12-octadecadienoic acid|115185-06-3|10,12-Octadecadienoic acid, 9-hydroxy-|9(S)-Hydroxy-10(E),12(Z)-octadecadienoic acid|CBiol_001774|.(10E,12E)-9-hydroxy-10,12-octadecadienoic acid|(9R,S,10E,12E)-9-hydroxy-10,12-octadecadienoic acid|DTXSID20868260|Bio1_000060|Bio1_0005... | 9-hydroxy-10,12-octadecadienoic acid | 1,927 |
8-(3-Oct-2-enyloxiran-2-yl)octanoic acid | 8-(3-oct-2-enyloxiran-2-yl)octanoic acid | InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20) | FBUKMFOXMZRGRB-UHFFFAOYSA-N | CCCCCC=CCC1C(O1)CCCCCCCC(=O)O | 2005-03-25 | Coronarsaeure|(+)-CORONARIC ACID|8-(3-oct-2-enyloxiran-2-yl)octanoic acid|113972-57-9|65167-83-1|cis-9,10-Epoxy-12(Z)-octadecenoic acid|CBiol_001808|KBioGR_000060|KBioSS_000060|KBio2_000060|KBio2_002628|KBio2_005196|KBio3_000119|KBio3_000120|(+/-)9,10-Eode|Bio1_000094|Bio1_000583|Bio1_001072|Bio2_000060|Bio2_000540|QCA... | 9,10-epoxy-12-octadecenoic acid | 1,929 |
9-Octadecenamide | octadec-9-enamide | InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20) | FATBGEAMYMYZAF-UHFFFAOYSA-N | CCCCCCCCC=CCCCCCCCC(=O)N | 2005-03-25 | 9-Octadecenamide|octadec-9-enamide|3322-62-1|cis-9,10-Octadecenamide|9-octadecene-amide|CBiol_001760|KBioGR_000209|KBioSS_000209|KBio2_000209|KBio2_002777|KBio2_005345|KBio3_000417|KBio3_000418|DTXSID60859314|Bio1_000046|Bio1_000535|Bio1_001024|Bio2_000209|Bio2_000689|HMS3266N06|AKOS028109387|Q27459975 | oleylamide | 1,930 |
9,12-Octadecadiynoic acid | octadeca-9,12-diynoic acid | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8,11-17H2,1H3,(H,19,20) | KDYILQLPKVZDGB-UHFFFAOYSA-N | CCCCCC#CCC#CCCCCCCCC(=O)O | 2005-03-25 | 9,12-octadecadiynoic acid|2012-14-8|octadeca-9,12-diynoic acid|9a-12a-Octadecadiynoic acid|Ro 3-1314|ODYA|Ro-3-1314|CHEBI:142250|DTXSID50173935|SCHEMBL47069|DTXCID1096426|HMS3649L21|HY-N8276|LMFA01030540|MFCD00797685|9,12-Octadecadiynoic acid, >=98%|PD020522|DB-221716|G91418|SR-01000946677|SR-01000946677-1 | 9a-12a-octadecadiynoic acid | 1,931 |
Tacrine | 1,2,3,4-tetrahydroacridin-9-amine | InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | YLJREFDVOIBQDA-UHFFFAOYSA-N | C1CCC2=NC3=CC=CC=C3C(=C2C1)N | 2005-03-25 | Tacrine|321-64-2|1,2,3,4-tetrahydroacridin-9-amine|1,2,3,4-TETRAHYDRO-9-ACRIDINAMINE|Tetrahydroaminacrine|Tetrahydroaminoacridine|Tetrahydroaminocrin|Tetrahydroaminocrine|Cognex|9-amino-1,2,3,4-tetrahydroacridine|Tacrina|Tacrinal|Tacrinum|Tenakrin|9-Acridinamine, 1,2,3,4-tetrahydro-|Tacrine [INN:BAN]|Tacrinum [INN-Lati... | Tacrine | 1,935 |
9-(2-Hydroxypropyl)adenine | 1-(6-aminopurin-9-yl)propan-2-ol | InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11) | MJZYTEBKXLVLMY-UHFFFAOYSA-N | CC(CN1C=NC2=C(N=CN=C21)N)O | 2005-03-25 | 9-(2-Hydroxypropyl)adenine|1-(6-aminopurin-9-yl)propan-2-ol|14047-26-8|CHEMBL504495|1-(6-Amino-9H-purin-9-yl)propan-2-ol|9H-Purine-9-ethanol, 6-amino-alpha-methyl-|MFCD20698392|9-(2-Hydroxypropyl)-9H-adenine|9H-Purine-9-ethanol, 6-amino-.alpha.-methyl-|SCHEMBL904363|9-(2-Hydroxy-1-propyl)adenine|(S)-9-(2-Hydroxypropyl)... | 9-(2-hydroxypropyl)adenine | 1,942 |
[4-({6-[Allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone | (4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone | InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3 | CMYCCJYVZIMDFU-UHFFFAOYSA-N | CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C | 2005-03-25 | Ro 48-8071|161582-11-2|[4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone|Ro-48-8071|(4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone|YDR69X9Q9M|R048-8071|CHEMBL304858|(4-BROMOPHENYL)[3-FLUORO-4-[[6-(METHYL-2-PROPENYLAMINO)HEXYL]OXY]PHENYL]-METHANONE|1gsz|(4-br... | Ro 48-8071 | 1,949 |
alpha-Hydroxytriazolam | [8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol | InChI=1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2 | BHUYWUDMVCLHND-UHFFFAOYSA-N | C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CO | 2005-03-25 | alpha-Hydroxytriazolam|37115-45-0|1'-Hydroxy Triazolam|1'-hydroxytriazolam|[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol|1-Hydroxymethyltriazolam|J53Y2M2SAH|4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine-1-methanol, 8-chloro-6-(2-chlorophenyl)-|.ALPHA.-HYDROXYTRIAZOLAM|DTXSID50958... | alpha-hydroxytriazolam | 1,963 |
Docebenone | 2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione | InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3 | WDEABJKSGGRCQA-UHFFFAOYSA-N | CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C | 2004-09-16 | DOCEBENONE|aa-861|80809-81-0|Docebenona|Docebenonum|AA861|2-(12-hydroxydodeca-5,10-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione|Docebenone [USAN:INN]|Docebenonum [INN-Latin]|Docebenona [INN-Spanish]|AA 861|CHEBI:2340|2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p-benzoquinone|A-61589|2,3,5-trimethyl-6-(1... | 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone | 1,967 |
2,2'-Azobis(2-amidinopropane) | 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide | InChI=1S/C8H18N6/c1-7(2,5(9)10)13-14-8(3,4)6(11)12/h1-4H3,(H3,9,10)(H3,11,12) | CCTFAOUOYLVUFG-UHFFFAOYSA-N | CC(C)(C(=N)N)N=NC(C)(C)C(=N)N | 2005-03-25 | 2,2'-Azobis(2-amidinopropane)|13217-66-8|2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide|2,2/'-azobis(2-amidinopropane)|Amph cpd|2,2'-AZO-bis-2-AMINOPROPANE|ABAPH|NSC668416|2,2'-Azobis(2-methylpropionamidine)|2,2'-azobis[2-amidinopropane]dihydrochloride|{2,2'-Azobis[2-amidinopropane]dihydrochl... | 2,2'-azobis(2-amidinopropane) | 1,969 |
5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide | 5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide | InChI=1S/C18H21N7O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,20,28)(H,21,22,23) | LDYMCRRFCMRFKB-UHFFFAOYSA-N | CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC=C(C=C4)N)O)O | 2005-03-25 | AB-MECA|5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide|BCP16462|L000703 | N(6)-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide | 1,970 |
Ambisome | 33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid | InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60) | APKFDSVGJQXUKY-UHFFFAOYSA-N | CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O | 2005-03-25 | 1397-89-3|Ambisome|MLS002702966|SMR001566780|33-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid|NSC527017|33-((3-amino-3,6-dideoxyhexopyranosyl)oxy)-1,3,5,6,9,11,17,37-octahyd... | liposomal amphotericin B | 1,972 |
Abt 702 | 5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine | InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28) | RQCXKDWOCUJWQZ-UHFFFAOYSA-N | C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N | 2005-03-25 | abt-702|Abt 702|ABT702|CHEMBL66089|UNII-2P206WS5B3|2P206WS5B3|5-(3-Bromophenyl)-7-(6-morpholinopyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine|5-(3-bromophenyl)-7-[6-(morpholin-4-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine|4-Amino-5-(3-bromophenyl)-7-(6-morpholino-pyridin-3-yl)pyrido(2,3-d)pyrimidine|4-amino-5-(3-bromop... | ABT 702 | 1,973 |
2-[[1-Oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid | 2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid | InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25) | GAMRBCZMOOMBSQ-UHFFFAOYSA-N | CCCCCC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O | 2005-03-25 | 2-[[1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid|ACAA|aca|2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid|SCHEMBL1895052|DTXSID401294527|HMS3740G09|BCP30845|N-(para-Amylcinnamoyl)anthranilic acid|Q27195369 | 7-anilinocoumarin-4-acetic acid | 1,974 |
Acebutolol | N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide | InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) | GOEMGAFJFRBGGG-UHFFFAOYSA-N | CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C | 2004-09-16 | acebutolol|37517-30-9|Acetobutolol|dl-Acebutolol|Neptal|Acebutololo|Acebutololum|Sectral|(+-)-Acebutolol|Acebrutololum|N-(3-Acetyl-4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)butyramide|Acebutololum [INN-Latin]|Acebrutololum [INN-Latin]|5'-Butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone|Acetobutolol [IN... | Acebutolol | 1,978 |
Aceclidine | 1-azabicyclo[2.2.2]octan-3-yl acetate | InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3 | WRJPSSPFHGNBMG-UHFFFAOYSA-N | CC(=O)OC1CN2CCC1CC2 | 2005-03-25 | aceclidine|827-61-2|Quinuclidin-3-yl acetate|3-Acetoxyquinuclidine|1-azabicyclo[2.2.2]octan-3-yl acetate|3-Quinuclidinol acetate (ester)|Glaucostat|Aceclidinum|Aceclidina|1-Azabicyclo(2.2.2)octan-3-ol, acetate (ester)|3-Quinuclidinol, acetate (ester)|MFCD00468105|NSC-657843|NSC-758239|CHEMBL20835|1-Azabicyclo(2.2.2)oct... | aceclidine | 1,979 |
Acemetacin | 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid | InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25) | FSQKKOOTNAMONP-UHFFFAOYSA-N | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O | 2005-03-25 | acemetacin|53164-05-9|Rantudil|Emflex|Acemix|Acemetacina|Acemetacine|Acemetacinum|Aximeixin|Rheumibis|Bay f 4975|TVX 1322|indomethacin carboxymethyl ester|Acemetacine [INN-French]|Acemetacinum [INN-Latin]|Acemetacina [INN-Spanish]|TVX 3322|Solart|indometacin glycolic ester|indomethacin glycolic ester|1H-Indole-3-acetic... | acemetacin | 1,981 |
Acephate | N-[methoxy(methylsulfanyl)phosphoryl]acetamide | InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7) | YASYVMFAVPKPKE-UHFFFAOYSA-N | CC(=O)NP(=O)(OC)SC | 2005-03-25 | acephate|30560-19-1|Orthene|Acetamidophos|Ortran|Ortril|N-[methoxy(methylsulfanyl)phosphoryl]acetamide|O,S-Dimethyl N-acetylphosphoramidothioate|Acephat|Acetylphosphoramidothioic acid O,S-dimethyl ester|Orthene-755|O,S-Dimethylacetylphosphoroamidothioate|Caswell No. 002A|Phosphoramidothioic acid, N-acetyl-, O,S-dimethy... | acephate | 1,982 |
Acetaminophen | N-(4-hydroxyphenyl)acetamide | InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) | RZVAJINKPMORJF-UHFFFAOYSA-N | CC(=O)NC1=CC=C(C=C1)O | 2004-09-16 | acetaminophen|Paracetamol|4-Acetamidophenol|103-90-2|Tylenol|N-(4-Hydroxyphenyl)acetamide|APAP|Panadol|N-Acetyl-p-aminophenol|4'-Hydroxyacetanilide|Acetaminofen|Datril|p-Acetamidophenol|p-Hydroxyacetanilide|Algotropyl|Doliprane|Injectapap|Lonarid|Naprinol|Acenol|Biocetamol|Febridol|Servigesic|Vermidon|Acamol|Alpiny|Ane... | Acetaminophen | 1,983 |
Acetaminosalol | (4-acetamidophenyl) 2-hydroxybenzoate | InChI=1S/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17) | TWIIVLKQFJBFPW-UHFFFAOYSA-N | CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O | 2005-03-25 | acetaminosalol|118-57-0|Phenetsal|Salophen|Acetaminosalolo|Acetaminosalolum|(4-acetamidophenyl) 2-hydroxybenzoate|Acetaminosalolo [DCIT]|4-acetamidophenyl 2-hydroxybenzoate|Acetaminosalol [INN:DCF]|4-Acetamidophenyl salicylate|O3J7H54KMD|4-Acetylaminophenyl salicylat|Acetaminosalolum [INN-Latin]|NSC-757877|4-Hydroxyace... | salophen | 1,984 |
Acetarsol | (3-acetamido-4-hydroxyphenyl)arsonic acid | InChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15) | ODFJOVXVLFUVNQ-UHFFFAOYSA-N | CC(=O)NC1=C(C=CC(=C1)[As](=O)(O)O)O | 2005-03-25 | acetarsol|Acetarsone|97-44-9|Stovarsol|Acetphenarsine|Amarsan|Amoebal|Stovarsolan|Arsaphen|Arsonine|Dynarsan|Nilacid|Oralcid|Orarsan|Osarsal|Osarsole|Osvarsan|Osvarson|Pallicid|Paroxyl|Spirocid|Spirozid|Stovarsal|Vagisept|Vagoflor|Mexyl|N-Acetyl-4-hydroxy-m-arsanilic acid|Disparicida|Ginarsol|Gynoplix|Kharophen|Kubarso... | acetarsol | 1,985 |
Acetazolamide | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide | InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | BZKPWHYZMXOIDC-UHFFFAOYSA-N | CC(=O)NC1=NN=C(S1)S(=O)(=O)N | 2005-03-25 | acetazolamide|59-66-5|Diamox|Acetamox|Nephramide|Glaupax|N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide|Acetazolamid|Defiltran|Phonurit|Donmox|Edemox|Didoc|Diuriwas|Cidamex|Diacarb|Diluran|Dehydratin|Natrionex|Nephramid|Diakarb|Diuramid|Diutazol|Duiramid|Eumicton|Fonurit|Vetamox|Glupax|SK-acetazolamide|5-Acetamido-1,3,... | Acetazolamide | 1,986 |
Acetochlor | 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide | InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3 | VTNQPKFIQCLBDU-UHFFFAOYSA-N | CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C | 2004-09-16 | acetochlor|34256-82-1|2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide|Azetochlor|Acetochlore|Harness|Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-|Acetochlor [ISO]|Acetochlore [ISO-French]|Acetochlor [ANSI:BSI:ISO]|CCRIS 7709|HSDB 6550|EINECS 251-899-3|UNII-8L08WMO94K|EPA Pesticide Chem... | acetochlor | 1,988 |
Acetohexamide | 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea | InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19) | VGZSUPCWNCWDAN-UHFFFAOYSA-N | CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2 | 2004-09-16 | acetohexamide|968-81-0|Dymelor|Acetohexamid|Dimelor|Gamadiabet|Hypoglicil|Metaglucina|Tsiklamid|Minoral|Ordimel|Acetohexamida|Acetohexamidum|1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea|N-(p-Acetylphenylsulfonyl)-N'-cyclohexylurea|1-((p-Acetylphenyl)sulfonyl)-3-cyclohexylurea|CCRIS 4|NCI-C03247|Acetohexamidum [INN-Latin... | Acetohexamide | 1,989 |
Acetohydroxamic Acid | N-hydroxyacetamide | InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4) | RRUDCFGSUDOHDG-UHFFFAOYSA-N | CC(=O)NO | 2004-09-16 | acetohydroxamic acid|N-Hydroxyacetamide|546-88-3|Lithostat|Methylhydroxamic acid|Acetic acid, oxime|Acetylhydroxamic acid|Acetohydroximic acid|N-Acetylhydroxylamine|Acetamide, N-hydroxy-|Acethydroxamsaeure|cetohyroxamic acid|N-Acetyl hydroxyacetamide|Acethydroxamsaure|Acethydroxamic acid|Acetohydroxamate|Acido acetohid... | acetohydroxamic acid | 1,990 |
Methacholine | 2-acetyloxypropyl(trimethyl)azanium | InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1 | NZWOPGCLSHLLPA-UHFFFAOYSA-N | CC(C[N+](C)(C)C)OC(=O)C | 2004-09-16 | methacholine|Mecholin|Acetylmethylcholine|Methacholin|Mecholine|55-92-5|beta-Methylacetylcholine|Methacholinum|Provocholine|Methacholine ion|Acetyl-beta-methylcholine|Methacholine cation|Choline, acetyl-beta-methyl-|MCH; Mecholin|UNII-03V657ZD3V|BRN 1769932|CHEBI:6804|03V657ZD3V|2-acetyloxypropyl(trimethyl)azanium|1-Pr... | Methacholine Chloride | 1,993 |
Acetylleucine | 2-acetamido-4-methylpentanoic acid | InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12) | WXNXCEHXYPACJF-UHFFFAOYSA-N | CC(C)CC(C(=O)O)NC(=O)C | 2005-03-25 | N-Acetyl-DL-leucine|Acetylleucine|99-15-0|Ac-DL-Leu-OH|2-acetamido-4-methylpentanoic acid|Tanganil|Acetileucina|Acetyl-DL-leucine|Acetylleucinum|Acetylleucine [INN]|N-Acetyl-D,L-leucine|(R,S)-N-Acetylleucin|Acetylleucine, dl-|Acetileucina [Spanish]|Acetylleucinum [Latin]|DL-Leucine, N-acetyl-|NSC-122020|UNII-K76S41V71X... | acetylleucine | 1,995 |
Afalanine | 2-acetamido-3-phenylpropanoic acid | InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15) | CBQJSKKFNMDLON-UHFFFAOYSA-N | CC(=O)NC(CC1=CC=CC=C1)C(=O)O | 2005-03-25 | N-Acetyl-DL-phenylalanine|2901-75-9|Afalanine|N-Acetylphenylalanine|Ac-DL-Phe-OH|2-acetamido-3-phenylpropanoic acid|N-Acetyl-D,L-phenylalanine|Afalanine [INN]|Afalanina|2901-61-3|N-Acetyl-3-phenyl-DL-alanine|Afalaninum|acetylphenylalanine|DL-N-Acetyl-3-phenylalanine|DL-Phenylalanine, N-acetyl-|Afalaninum [INN-Latin]|Af... | N-acetylphenylalanine | 2,000 |
N-Acetyltryptophan | 2-acetamido-3-(1H-indol-3-yl)propanoic acid | InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) | DZTHIGRZJZPRDV-UHFFFAOYSA-N | CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O | 2005-03-25 | N-Acetyl-DL-tryptophan|87-32-1|Ac-DL-Trp-OH|N-Acetyltryptophan|acetyltryptophan|DL-Acetyltryptophan|2-acetamido-3-(1H-indol-3-yl)propanoic acid|Tryptophan, N-acetyl-|DL-N-Acetyltryptophan|N-Acetyl-DL-tryptophane|DL-Tryptophan, N-acetyl-|NSC49124|n-acetyltryptophane|MFCD00005644|NSC 49124|CHEBI:70976|4460NBV53F|AC-Try|E... | N-acetyltryptophan | 2,002 |
2-acetamido-3-(1H-indol-3-yl)propanamide | 2-acetamido-3-(1H-indol-3-yl)propanamide | InChI=1S/C13H15N3O2/c1-8(17)16-12(13(14)18)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12,15H,6H2,1H3,(H2,14,18)(H,16,17) | HNGIZKAMDMBRKJ-UHFFFAOYSA-N | CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N | 2005-03-25 | Ac-Trp-NH2|2-acetamido-3-(1H-indol-3-yl)propanamide|Ac-Trp-NH|NATA|MFCD00005646|2-(Acetylamino)-3-(1H-indol-3-yl)propanamide #|Cambridge id 6888325|Oprea1_140599|Na-Acetyl-L-tryptophan amide|SCHEMBL3202823|HNGIZKAMDMBRKJ-UHFFFAOYSA-|HNGIZKAMDMBRKJ-UHFFFAOYSA-N|N(.alpha.)-Acetyl-dl-tryptophanamine|AKOS003234764|10346-41... | N-acetyltryptophanamide | 2,003 |
Acexamic Acid | 6-acetamidohexanoic acid | InChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) | WDSCBUNMANHPFH-UHFFFAOYSA-N | CC(=O)NCCCCCC(=O)O | 2005-03-25 | 6-Acetamidohexanoic acid|acexamic acid|57-08-9|Hexanoic acid, 6-(acetylamino)-|6-(Acetylamino)hexanoic acid|6-Acetamidocaproic acid|Acide acexamique|Acetaminocaproic acid|Plastenan|Acemin|AEAH (base)|CY 153|Acido acexamico|epsilon-Acetamidocaproic acid|N-Acetyl-6-aminohexanoic acid|N-Acetyl-.epsilon.-aminocaproic acid|... | 6-acetylaminocaproic acid | 2,005 |
Acitazanolast | 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid | InChI=1S/C9H7N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)(H,11,12,13,14) | VWQZJJZGISNFOE-UHFFFAOYSA-N | C1=CC(=CC(=C1)NC(=O)C(=O)O)C2=NNN=N2 | 2005-03-25 | Acitazanolast|114607-46-4|MTCC|Acitazanolast [INN]|CCRIS 7505|Oxo-((3-(1H-tetrazol-5-yl)phenyl)amino)acetic acid|WP 871|3'-(1H-Tetrazol-5-yl)oxanilic acid|UNII-99Y8VJ356G|3'-(1H-Tetrazol-5-yl)oxanilic acid monohydrate|Oxanilic acid, 3-(1H-tetrazol-5-yl)-|DTXSID3048732|99Y8VJ356G|N-(3-(1H-Tetrazol-5-yl)phenyl)oxamic aci... | acitazanolast | 2,006 |
2-Amino-2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)acetic acid | 2-amino-2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)acetic acid | InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10) | QAWIHIJWNYOLBE-UHFFFAOYSA-N | C1C(ON=C1Cl)C(C(=O)O)N | 2005-03-25 | 52583-41-2|5-Isoxazoleacetic acid, alpha-amino-3-chloro-4,5-dihydro-|2-amino-2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)acetic acid|2-amino-2-(3-chloro-4,5-dihydroisoxazol-5-yl)acetic acid|alpha-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid|amino(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)acetic acid|AT-125;U-42126|MLS00002... | acivicin | 2,007 |
Aconitin cristallisat | [8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate | InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3 | XFSBVAOIAHNAPC-UHFFFAOYSA-N | CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC | 2005-03-25 | aconitine|Aconitin cristallisat|Aconitinum|302-27-2|[8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate|SCHEMBL15681737|CHEBI:181261|XFSBVAOIAHNAPC-UHFFFAOYSA-N|2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, acon... | Aconitine | 2,012 |
1-(4-Amidinophenyl)-3-(4-Chlorophenyl)Urea | 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea | InChI=1S/C14H13ClN4O/c15-10-3-7-12(8-4-10)19-14(20)18-11-5-1-9(2-6-11)13(16)17/h1-8H,(H3,16,17)(H2,18,19,20) | HQWKMDKTTCPCMQ-UHFFFAOYSA-N | C1=CC(=CC=C1C(=N)N)NC(=O)NC2=CC=C(C=C2)Cl | 2005-03-25 | 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA|C14H13ClN4O|162021-00-3|DTXSID80274348|1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea|ACPU, urea|DB04336|SCHEMBL4311708|DTXCID10225828|GP6|PD006296|NS00068986|3-(4-carbamimidoylphenyl)-1-(4-chlorophenyl)urea|Q27095150|4-{[(4-chlorophenyl)carbamoyl]amino}benzenecarboximidamid... | 1-(4-amidinophenyl)-3-(4-chlorophenyl)urea | 2,014 |
Acridone | 10H-acridin-9-one | InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15) | FZEYVTFCMJSGMP-UHFFFAOYSA-N | C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2 | 2005-03-25 | acridone|578-95-0|9(10H)-Acridone|acridin-9(10H)-one|9-Acridone|Acridanone|9(10H)-ACRIDINONE|10H-acridin-9-one|9-Acridanone|Acridin-9-one|9(10H)-Acridanone|9,10-Dihydro-9-oxoacridine|Acridine, 9,10-dihydro-9-oxo-|MFCD00005019|CCRIS 3317|UNII-6BK306GUQA|EINECS 209-434-7|6BK306GUQA|9,10-dihydroacridin-9-one|NSC 408196|9(... | acridone | 2,015 |
3,6-Diamino-10-methylacridinium | 10-methylacridin-10-ium-3,6-diamine | InChI=1S/C14H13N3/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17/h2-8H,1H3,(H3,15,16)/p+1 | XSIOKTWDEOJMGG-UHFFFAOYSA-O | C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N | 2005-03-25 | 3,6-Diamino-10-methylacridinium|837-73-0|acriflavinium|10-methylacridin-10-ium-3,6-diamine|3,6-Diamino-10-methylacridine|Acriflavon|Xanthacridine|Flavine|Panflavin|ACRIDINIUM, 3,6-DIAMINO-10-METHYL-|CHEBI:60585|3,6-DIAMINO-10-METHYLACRIDIN-10-IUM|AB00053810_11|MLS002207307|SMR001306812|BRN 3553796|Spectrum_000752|Spect... | 3,6-diamino-10-methylacridinium | 2,016 |
Ethacridine | 7-ethoxyacridine-3,9-diamine | InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18) | CIKWKGFPFXJVGW-UHFFFAOYSA-N | CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N | 2005-03-25 | ETHACRIDINE|7-ethoxyacridine-3,9-diamine|442-16-0|2-Ethoxy-6,9-diaminoacridine|Etakridin|Aethacridinum|Etacridina|6,9-Diamino-2-ethoxyacridine|2,5-Diamino-7-ethoxyacridine|Ethacridinum|Ethodin|Ophosept|3,9-Acridinediamine, 7-ethoxy-|Ethacridine [INN:BAN]|Etacridina [INN-Spanish]|Ethacridinum [INN-Latin]|NSC 163296|Acri... | Ethacridine | 2,017 |
Actarit | 2-(4-acetamidophenyl)acetic acid | InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14) | MROJXXOCABQVEF-UHFFFAOYSA-N | CC(=O)NC1=CC=C(C=C1)CC(=O)O | 2005-03-25 | actarit|18699-02-0|2-(4-acetamidophenyl)acetic acid|4-Acetylaminophenylacetic acid|Benzeneacetic acid, 4-(acetylamino)-|4-Acetamidophenylacetic acid|[4-(acetylamino)phenyl]acetic acid|(p-Acetamidophenyl)acetic acid|Actaritum|Orcl|Actarit [INN:JAN]|Actaritum [INN-Latin]|Mirabegron (m9)|MS-932|Actrarit|CCRIS 3777|4-N-Ace... | 4-(acetylamino)benzeneacetic acid | 2,018 |
Cosmegen | 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide | InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33... | RJURFGZVJUQBHK-UHFFFAOYSA-N | CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C | 2005-03-25 | actinomycin D|50-76-0|Oncostatin K|Actinomycin Aiv|Dactinomycin D|Actinomycin 7|Cosmegen|Lyovac cosmegen|Acto-D|Dilactone actinomycindioic D acid|Actinomycin C(sub1)|Antibiotic from Streptomyces parvullus|Actinomycindioic D acid, dilactone|Actinomycin-(threo-val-pro-sar-meval)|X 97|2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bi... | Dactinomycin | 2,019 |
Adenosine 2',3'-cyclic phosphate | [4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) | KMYWVDDIPVNLME-UHFFFAOYSA-N | C1=NC(=C2C(=N1)N(C=N2)C3C4C(C(O3)CO)OP(=O)(O4)O)N | 2005-03-25 | Adenosine 2',3'-cyclic phosphate|4-(6-Amino-9H-purin-9-yl)-2-hydroxy-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphole 2-oxide|cyclic 2',3'-(hydrogen phosphate)-Adenosine|[4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol|1264440-62-1|2',3'-cAMP|2',3'-Cycl... | 2',3'-cyclic AMP | 2,024 |
N-(2-aminoethyl)-2-[4-[[2-[4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]acetamide | N-(2-aminoethyl)-2-[4-[[2-[4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]acetamide | InChI=1S/C28H32N8O6/c29-9-10-30-21(38)11-16-1-5-18(6-2-16)34-22(39)12-17-3-7-19(8-4-17)35-26-23-27(32-14-31-26)36(15-33-23)28-25(41)24(40)20(13-37)42-28/h1-8,14-15,20,24-25,28,37,40-41H,9-13,29H2,(H,30,38)(H,34,39)(H,31,32,35) | JFRJCQJVFMHZOO-UHFFFAOYSA-N | C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)CC(=O)NCCN)NC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)CO)O)O | 2005-03-25 | Adenosine amine congener|ADAC|6-ADAC;ADAC agonist|BCP31853|AKOS040759227|N-(2-aminoethyl)-2-[4-[[2-[4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]acetamide|N-(2-aminoethyl)-2-(4-{2-[4-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)phenyl]acetamido}phenyl... | adenosine amine congener | 2,026 |
[(2R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]me thoxyphosphonic acid | [2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22) | AEOBEOJCBAYXBA-UHFFFAOYSA-N | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)OP(=O)(O)O)N | 2005-03-25 | [(2R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]me thoxyphosphonic acid|3805-37-6|CHEMBL58764|BDBM50062282|Phosphoric acid mono-[2-(6-amino-purin-9-yl)-4-hydroxy-5-phosphonooxymethyl-tetrahydro-furan-3-yl] ester | adenosine 2',5'-diphosphate | 2,027 |
Adiphenine | 2-(diethylamino)ethyl 2,2-diphenylacetate | InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3 | JGOAIQNSOGZNBX-UHFFFAOYSA-N | CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 | 2005-03-25 | adiphenine|Trasentine|Spasmolytin|Tranzetil|Difacil|64-95-9|Adiphenin|Diphacil|Diphacyl|Trasentin|Transentine|Patrovine|Vegantine|Adiphenine [INN]|Adifenina|Trazentyna|Wegantyna|Wegantyna [Polish]|2-(diethylamino)ethyl 2,2-diphenylacetate|Adipheninum|Trazentyna [Polish]|Diphenylacetyldiethylaminoethanol|SKF 962A|Adifen... | adiphenine | 2,031 |
3-(N-Acetylamino)-5-(N-decyl-N-methylamino)benzyl alcohol | N-[3-[decyl(methyl)amino]-5-(hydroxymethyl)phenyl]acetamide | InChI=1S/C20H34N2O2/c1-4-5-6-7-8-9-10-11-12-22(3)20-14-18(16-23)13-19(15-20)21-17(2)24/h13-15,23H,4-12,16H2,1-3H3,(H,21,24) | YGFQCJGXLSFQPL-UHFFFAOYSA-N | CCCCCCCCCCN(C)C1=CC(=CC(=C1)NC(=O)C)CO | 2005-03-25 | 103955-90-4|3-(N-Acetylamino)-5-(N-decyl-N-methylamino)benzyl alcohol|3-Admb|N-[3-[decyl(methyl)amino]-5-(hydroxymethyl)phenyl]acetamide|DTXSID10146160|Acetamide, N-(3-(decylmethylamino)-5-(hydroxymethyl)phenyl)-|N-(3-(Decyl(methyl)amino)-5-(hydroxymethyl)phenyl)acetamide|ADMB cpd|(4R,8E)-4,5,6,7-Tetrahydro-11,13-dihyd... | 3-(N-acetylamino)-5-(N-decyl-N-methylamino)benzyl alcohol | 2,032 |
Docosa-7,10,13,16-tetraenoic acid | docosa-7,10,13,16-tetraenoic acid | InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24) | TWSWSIQAPQLDBP-UHFFFAOYSA-N | CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)O | 2005-03-25 | adrenic acid|7,10,13,16-Docosatetraenoic acid|docosa-7,10,13,16-tetraenoic acid|28874-58-0|2091-25-0|CBiol_001990|KBioGR_000219|KBioSS_000219|KBio2_000219|KBio2_002787|KBio2_005355|KBio3_000437|KBio3_000438|DTXSID60862828|CHEBI:131693|TWSWSIQAPQLDBP-UHFFFAOYSA-N|Bio1_000276|Bio1_000765|Bio1_001254|Bio2_000219|Bio2_0006... | adrenic acid | 2,033 |
beta-Aminoethyl Isothiourea | 2-aminoethyl carbamimidothioate | InChI=1S/C3H9N3S/c4-1-2-7-3(5)6/h1-2,4H2,(H3,5,6) | NWPCXGGYSQHQGM-UHFFFAOYSA-N | C(CSC(=N)N)N | 2005-03-25 | 2-Aminoethyl carbamimidothioate|151-16-6|Aminoethylisothiuronium|(2-Aminoethyl)isothiourea|S-(2-Aminoethyl)isothiourea|aminoethylisothiourea|Carbamimidothioic acid, 2-aminoethyl ester|2-Aminoethylisothiuronium|beta-Aminoethyl isothiourea|S-(2-Aminoethyl)isothiuronium|AE-ITU|UNII-2GIH68G0MX|2GIH68G0MX|[(2-aminoethyl)sul... | beta-Aminoethyl Isothiourea | 2,039 |
Afloqualone | 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one | InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3 | VDOSWXIDETXFET-UHFFFAOYSA-N | CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CF | 2005-03-25 | afloqualone|56287-74-2|Arofuto|Aroft|Afloqualon|Airomate|4(3H)-Quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-|Afloqualona|Afloqualonum|Afloqualone [INN:JAN]|Afloqualonum [INN-Latin]|Afloqualona [INN-Spanish]|Aflocualona|CO4U2C8ORZ|HQ 495|Airomate (TN)|6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4... | afloqualone | 2,040 |
2-(4-Nitrobenzylidene)malononitrile | 2-[(4-nitrophenyl)methylidene]propanedinitrile | InChI=1S/C10H5N3O2/c11-6-9(7-12)5-8-1-3-10(4-2-8)13(14)15/h1-5H | BDTIGNGBIBFXSE-UHFFFAOYSA-N | C1=CC(=CC=C1C=C(C#N)C#N)[N+](=O)[O-] | 2005-03-25 | 2700-23-4|2-(4-Nitrobenzylidene)malononitrile|4-Nitrobenzylidenemalononitrile|2-[(4-nitrophenyl)methylene]malononitrile|2-[(4-nitrophenyl)methylidene]propanedinitrile|Propanedinitrile, [(4-nitrophenyl)methylene]-|1,1-DICYANO-2-(-P-NITROPHENYL)-ETHENE|Dicyano-p-nitrostyrene|2-(4-(Hydroxy(oxido)amino)benzylidene)malononi... | 4-nitrobenzylidene malononitrile | 2,041 |
Tyrphostin AG 1024 | 2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile | InChI=1S/C14H13BrN2O/c1-14(2,3)11-5-9(4-10(7-16)8-17)6-12(15)13(11)18/h4-6,18H,1-3H3 | ABBADGFSRBWENF-UHFFFAOYSA-N | CC(C)(C)C1=C(C(=CC(=C1)C=C(C#N)C#N)Br)O | 2005-03-25 | 65678-07-1|Tyrphostin AG 1024|ag1024|AG-1024|AG 1024|2-(3-Bromo-5-(tert-butyl)-4-hydroxybenzylidene)malononitrile|2-(3-bromo-5-tert-butyl-4-hydroxybenzylidene)malononitrile|2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile|NF4XN6A8V9|CHEMBL2218926|AGS 200|DTXSID50274350|2-((3-bromo-5-tert-butyl-4-hy... | tyrphostin AG 1024 | 2,044 |
2-Amino-4-(4-hydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile | 2-amino-4-(4-hydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile | InChI=1S/C13H8N4O/c14-6-10(13(17)11(7-15)8-16)5-9-1-3-12(18)4-2-9/h1-5,18H,17H2 | DXVJRTIPBNBLLB-UHFFFAOYSA-N | C1=CC(=CC=C1C=C(C#N)C(=C(C#N)C#N)N)O | 2005-03-25 | 2-amino-4-(4-hydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile|144978-82-5|Tyrphostin A 48|2-amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene|SCHEMBL1705596|DTXSID601017214|HMS3369N03|1,3-Butadiene-1,1,3-tricarbonitrile, 2-amino-4-(4-hydroxyphenyl)-|PD075750|Q27165684|3-amino-2,4-dicyano-5-(4-hydroxyphenyl)-pen... | 2-amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene | 2,045 |
AG 126 | 2-[(3-hydroxy-4-nitrophenyl)methylidene]propanedinitrile | InChI=1S/C10H5N3O3/c11-5-8(6-12)3-7-1-2-9(13(15)16)10(14)4-7/h1-4,14H | DUQADSPERJRQBW-UHFFFAOYSA-N | C1=CC(=C(C=C1C=C(C#N)C#N)O)[N+](=O)[O-] | 2005-03-25 | 118409-62-4|Tyrphostin AG 126|AG-126|AG 126|ag126|Tyrphostin A 10|alpha-Cyano-(3-hydroxy-4-nitro)cinnamonitrile|Tyrphostin AG126|tyrphostin AG-126|2-[(3-hydroxy-4-nitrophenyl)methylidene]propanedinitrile|Propanedinitrile,2-[(3-hydroxy-4-nitrophenyl)methylene]-|7YA4AMD1JC|2-(3-hydroxy-4-nitrobenzylidene)malononitrile|Pr... | AG 127 | 2,046 |
6,7-Dimethyl-2-phenylquinoxaline | 6,7-dimethyl-2-phenylquinoxaline | InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3 | FQNCLVJEQCJWSU-UHFFFAOYSA-N | CC1=CC2=NC=C(N=C2C=C1C)C3=CC=CC=C3 | 2005-03-25 | 6,7-Dimethyl-2-phenylquinoxaline|71897-07-9|ag1295|AG 1295|AG-1295|6,7-Dimethyl-2-phenyl-quinoxaline|TYRPHOSTIN AG 1295|CHEMBL7724|2-Phenyl-6,7-dimethylquinoxaline|NSC-380341|BiomolKI_000019|2-Phenyl-6,7-dimethylquinoxaline; 6,7-Dimethyl-2-phenylquinoxaline; AG 1295; NSC 380341; Tyrphostin AG 1295; AG-1295|Tyrphostin A... | 6,7-dimethoxy-2-phenylquinoxaline | 2,048 |
6,7-Dimethoxy-2-phenylquinoxaline | 6,7-dimethoxy-2-phenylquinoxaline | InChI=1S/C16H14N2O2/c1-19-15-8-12-13(9-16(15)20-2)18-14(10-17-12)11-6-4-3-5-7-11/h3-10H,1-2H3 | QNOXYUNHIGOWNY-UHFFFAOYSA-N | COC1=C(C=C2C(=C1)N=CC(=N2)C3=CC=CC=C3)OC | 2005-03-25 | 146535-11-7|Tyrphostin AG 1296|6,7-dimethoxy-2-phenylquinoxaline|AG-1296|AG 1296|6,7-Dimethoxy-3-phenylquinoxaline|Quinoxaline, 6,7-dimethoxy-2-phenyl-|ag1296|Tyrphostin AG1296|Tyrphostin AG-1296|MFCD00270913|CHEMBL71191|6,7-Dimethoxy-2-phenyl-quinoxaline|tyrphostin-AG1296|6,7-Dimethoxy-2-phenylquinozaline|tyrphostin-A... | 6,7-dimethoxy-3-phenylquinoxaline | 2,049 |
Tyrphostins | N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine | InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20) | GFNNBHLJANVSQV-UHFFFAOYSA-N | COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC | 2005-03-25 | 153436-53-4|AG-1478|Tyrphostin AG 1478|N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine|175178-82-2|Tyrphostin AG-1478|4-(3-Chloroanilino)-6,7-dimethoxyquinazoline|4-Quinazolinamine, N-(3-chlorophenyl)-6,7-dimethoxy-|AG1478|AG-1478 (Tyrphostin AG-1478)|tyrphostin AG1478|AG-1478 free base|SUH0SEZ9HY|MFCD00270914|TYRPH... | RTKI cpd | 2,051 |
Tyrphostin A23 | 2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile | InChI=1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H | VTJXFTPMFYAJJU-UHFFFAOYSA-N | C1=CC(=C(C=C1C=C(C#N)C#N)O)O | 2005-03-25 | Tyrphostin 23|118409-57-7|Tyrphostin A23|AG 18|RG-50810|AG-18|2-(3,4-dihydroxybenzylidene)malononitrile|(3,4-Dihydroxybenzylidene)malononitrile|Tyrphostin AG18|2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile|Tyrphostin RG50810|Propanedinitrile,2-[(3,4-dihydroxyphenyl)methylene]-|RG 50810|RV0GCD31OJ|AG-18 (Tyrphost... | tyrphostin A23 | 2,052 |
2-Cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)-2-propenamide | 2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)prop-2-enamide | InChI=1S/C20H20N2O3/c21-14-17(12-16-9-10-18(23)19(24)13-16)20(25)22-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,23-24H,4-5,8,11H2,(H,22,25) | GWCNJMUSWLTSCW-UHFFFAOYSA-N | C1=CC=C(C=C1)CCCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N | 2005-03-25 | ag556|2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)prop-2-enamide|2-Cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)-2-propenamide|Tyrphostin AG 556|(E)-Tyrphostin AG 556|(E)-AG 556|HMS3266B15|DB-082049|Q27164019 | AG 556 | 2,059 |
Tyrphostin A25 | 2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile | InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H | YZOFLYUAQDJWKV-UHFFFAOYSA-N | C1=C(C=C(C(=C1O)O)O)C=C(C#N)C#N | 2005-03-25 | Tyrphostin 25|Tyrphostin A25|118409-58-8|Tyrphostin-25|2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile|Propanedinitrile, 2-[(3,4,5-trihydroxyphenyl)methylene]-|AG-82|RG-50875|DTXSID4045216|2-(3,4,5-Trihydroxybenzylidene)malononitrile|NSC676484|NSC-676484|NCGC00016046-02|2-[(3,4,5-trihydroxyphenyl)methylene]prop... | tyrphostin 25 | 2,061 |
Tyrphostin A1 | 2-[(4-methoxyphenyl)methylidene]propanedinitrile | InChI=1S/C11H8N2O/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-6H,1H3 | UOHFCPXBKJPCAD-UHFFFAOYSA-N | COC1=CC=C(C=C1)C=C(C#N)C#N | 2005-03-25 | Tyrphostin A1|Tyrphostin 1|2826-26-8|(4-Methoxybenzylidene)malononitrile|2-[(4-methoxyphenyl)methylidene]propanedinitrile|2-(4-Methoxybenzylidene)malononitrile|AG 9|Propanedinitrile,2-[(4-methoxyphenyl)methylene]-|Tyrphostin 1;AG9|MFCD00019787|((4-Methoxyphenyl)methylene)methane-1,1-dicarbonitrile|((4-Methoxyphenyl)met... | tyrphostin A23 | 2,063 |
Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester | methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate | InChI=1S/C15H15NO4/c1-20-15(19)10-2-4-12(5-3-10)16-9-11-8-13(17)6-7-14(11)18/h2-8,16-18H,9H2,1H3 | QSFREBZMBNRGOK-UHFFFAOYSA-N | COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O | 2005-03-25 | 140674-76-6|Tyrphostin AG 957|Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester|Tyrphostin AG957|ag957|methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate|AG 957|MLS002701581|AG-957|Methyl 4-((2,5-dihydroxybenzyl)amino)benzoate|NSC654705|Methyl 4-{[(2,5-dihydroxyphenyl)methyl]amino}benzoate|SMR0015651... | tyrphostin AG957 | 2,064 |
Aida | 1-amino-2,3-dihydroindene-1,5-dicarboxylic acid | InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16) | LSTPKMWNRWCNLS-UHFFFAOYSA-N | C1CC(C2=C1C=C(C=C2)C(=O)O)(C(=O)O)N | 2005-03-25 | AIDA|168560-79-0|UPF 523|1-Aminoindan-1,5-dicarboxylic acid|GNF-PF-1401|1H-Indene-1,5-dicarboxylic acid, 1-amino-2,3-dihydro-|1-Amino-2,3-dihydro-1H-indene-1,5-dicarboxylic acid|UPF-523|1-amino-2,3-dihydroindene-1,5-dicarboxylic acid|CHEMBL313938|UPF523;UPF 523;AIDA|(RS)-1-Aminoindan-1,5-dicarboxylic acid|UPF523|AIDA, ... | 1-aminoindan-1,5-dicarboxylic acid | 2,071 |
5-aminoisoquinolin-1(2H)-one | 5-amino-2H-isoquinolin-1-one | InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12) | SVASVGVAQIVSEZ-UHFFFAOYSA-N | C1=CC2=C(C=CNC2=O)C(=C1)N | 2005-03-25 | 5-aminoisoquinolin-1(2H)-one|93117-08-9|5-amino-2H-isoquinolin-1-one|5-AMINOISOQUINOLIN-1-OL|5-AIQ|5-Amino-2H-isoquinoin-1-one|5-amino-1,2-dihydroisoquinolin-1-one|MFCD06198896|5-AMINO-1(2H)-ISOQUINOLINONE|CHEMBL446240|DTXSID90274354|5-aminoisoquinolinone|4pnq|32X|1(2H)-ISOQUINOLINONE, 5-AMINO-|8V3G4R3QNX|SCHEMBL215327... | 5-aminoisoquinolinone | 2,072 |
Aritmina | 13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol | InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3 | CJDRUOGAGYHKKD-UHFFFAOYSA-N | CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C | 2005-03-25 | Aritmina|Cartagine|Tajmalin|Takhmalin|MLS002638439|NSC15627|Ajmalan-17,21-diol|NSC-15627|6989-79-3|Ajmalan-17,21-diol, (17R,21.alpha.)-|SCHEMBL23295973|DTXSID10859864|CJDRUOGAGYHKKD-UHFFFAOYSA-N|HMS3373D08|Ajmalan-17, (17R,21.alpha.)-|NCGC00179061-05|CID 24884008|SMR001547919|DB-051115|NS00120701|5H-6,10:11,12a-Dimetha... | Ajmaline | 2,073 |
Aklavine | methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate | InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3 | LJZPVWKMAYDYAS-UHFFFAOYSA-N | CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)O)N(C)C)O | 2005-03-25 | aklavin|aklavine | aklavin | 2,074 |
Aklomide | 2-chloro-4-nitrobenzamide | InChI=1S/C7H5ClN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11) | GFGSZUNNBQXGMK-UHFFFAOYSA-N | C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N | 2005-03-25 | aklomide|2-Chloro-4-nitrobenzamide|3011-89-0|Aklomix|Alkomide|Clomide|Benzamide, 2-chloro-4-nitro-|component of Aklomix|Aklomida|Aklomidum|component of Novastat-W|Caswell No. 198A|Aclomida|Aklomidum [INN-Latin]|Aklomida [INN-Spanish]|2-Chlor-4-nitrobenzamid|2-CHLORO-4-NITRO BENZAMIDE|Aklomide [USAN:INN:BAN]|NSC 191832|... | aklomide | 2,075 |
Alachlor | 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide | InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3 | XCSGPAVHZFQHGE-UHFFFAOYSA-N | CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl | 2004-09-16 | alachlor|15972-60-8|Metachlor|Methachlor|Lasagrin|Alanex|Alachlore|Alochlor|Pillarzo|Lasso|2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide|Chimiclor|Alanox|LAZO|alapaz|Lasso micro-tech|Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-|Alatox 480|2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide|A... | alachlor | 2,078 |
Alaproclate | [1-(4-chlorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate | InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3 | FZSPJBYOKQPKCD-UHFFFAOYSA-N | CC(C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N | 2005-03-25 | Alaproclate|60719-82-6|Alaproclato|Alaproclatum|GEA 654|Alaproclate [USAN:INN]|Alaproclatum [INN-Latin]|Alaproclato [INN-Spanish]|GEA-654|NSC-758657|[1-(4-chlorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate|DTXSID5045122|C4R42570ZO|ALAPROCLATE [INN]|ALAPROCLATE [USAN]|ALAPROCLATE [MART.]|DL-Alanin 4-chlor-alpha,alpha-... | alaproclate | 2,081 |
Albendazole | methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate | InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) | HXHWSAZORRCQMX-UHFFFAOYSA-N | CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC | 2004-09-16 | albendazole|54965-21-8|Albenza|Eskazole|Zentel|Valbazen|Albendazol|Proftril|Albendazolum|Andazol|SK&F 62979|Methyl 5-(propylthio)-2-benzimidazolecarbamate|SKF 62979|5-(Propylthio)-2-carbomethoxyaminobenzimidazole|SK&F-62979|Albendazol [INN-Spanish]|Albendazolum [INN-Latin]|methyl N-[6-(propylsulfanyl)-1H-1,3-benzodiazo... | Albendazole | 2,082 |
Albuterol | 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol | InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 | NDAUXUAQIAJITI-UHFFFAOYSA-N | CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O | 2005-03-25 | Salbutamol|albuterol|18559-94-9|Proventil|Ventoline|Broncovaleas|dl-Albuterol|dl-Salbutamol|Salbutamolum|Asthalin|Cobutolin|Salbulin|Salbuvent|Saventol|Aerolin|Asmaven|Spreor|Asmol|Ventolin Inhaler|Sultanol|Sultanol N|Ventolin|Proventil HFA|Volmax|Butohaler|Butovent|Dilatamol|Farcolin|Gerivent|Grafalin|Libretin|Novosal... | Albuterol | 2,083 |
Aldicarb | [(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate | InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10) | QGLZXHRNAYXIBU-UHFFFAOYSA-N | CC(C)(C=NOC(=O)NC)SC | 2005-03-25 | aldicarb|Temik|116-06-3|Aldicarb [ISO]|Carbamyl|Sulfone aldoxycarb|Aldicarbe [French]|Aldicarbe|Temik G10|Caswell No. 011A|Temik 10 G|TEMIK G|Union carbide 21149|2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime|RCRA waste number P070|CCRIS 17|Union carbide UC-21149|ENT-27,093|UNII-8V071SH05P|UC-21149|HSD... | Aldicarb | 2,086 |
Aldrosol | 1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene | InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2 | QBYJBZPUGVGKQQ-UHFFFAOYSA-N | C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl | 2005-03-25 | Aldocit|Aldrosol|Kortofin|Seedrin|Tatuzinho|CHEMBL195953|124-96-9|309-00-2|ISODRIN|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1.alpha.,4.alpha.,4a.beta.,5.alpha.,8.alpha.,8a.beta.)-|NCI-C00044|HHPN|ENT 1... | Aldrin | 2,087 |
Alendronic Acid | (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid | InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12) | OGSPWJRAVKPPFI-UHFFFAOYSA-N | C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN | 2005-03-25 | ALENDRONIC ACID|alendronate|66376-36-1|Fosamax|Acido alendronico|Acide alendronique|(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid|Acidum alendronicum|bisphosphonate|Arendal|(4-Amino-1-hydroxybutane-1,1-diyl)diphosphonic acid|Alendronate acid|(4-Amino-1-hydroxybutylidene)bisphosphonic acid|ABDP|Acide alendronique ... | Alendronate | 2,088 |
Alexidine | 1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine | InChI=1S/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36) | LFVVNPBBFUSSHL-UHFFFAOYSA-N | CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N | 2005-03-25 | alexidine|22573-93-9|Bisguadine|Alexidina|Compound 904|Alexidinum|Sterwin 904|Win 21,904|Alexidine [USAN:INN]|Alexidinum [INN-Latin]|Alexidina [INN-Spanish]|1,1'-Hexamethylenebis(5-(2-ethylhexyl)biguanide)|GVN71CAL3G|1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-eth... | alexidine | 2,090 |
5-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | 5-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3 | OFHCOWSQAMBJIW-UHFFFAOYSA-N | CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C | 2005-03-25 | alfacalcidol|41294-56-8|63181-13-5|Alfacalcidol?|1|A-Hydroxy Vitamin D3|Alfacalcidol EP Impurity A|PD154714|5-{2-[7a-methyl-1-(6-methylheptan-2-yl)-hexahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol | alfacalcidol | 2,091 |
Alfuzosin | N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide | InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23) | WNMJYKCGWZFFKR-UHFFFAOYSA-N | CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC | 2005-03-25 | alfuzosin|81403-80-7|Alfuzosina|Alfuzosine|Alfuzosinum|Xatral|Alfuzosinum [Latin]|SL 77499|ALFLUZOCIN|ALFLUZOSIN|HSDB 7290|SL 77-499|Alfuzosin (INN)|NSC-760065|UNII-90347YTW5F|CHEBI:51141|90347YTW5F|2-Furancarboxamide,N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-|N-(3-((4-Amino-6,7-dimethox... | alfuzosin | 2,092 |
Alminoprofen | 2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid | InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16) | FPHLBGOJWPEVME-UHFFFAOYSA-N | CC(C1=CC=C(C=C1)NCC(=C)C)C(=O)O | 2005-03-25 | alminoprofen|39718-89-3|Minalfene|2-(4-((2-Methylallyl)amino)phenyl)propanoic acid|Alminoprofene|Alminoprofeno|Alminoprofenum|Minalfen|EB-382|rac Alminoprofen|p-((2-Methylallyl)amino)hydratropic acid|Alminoprofeno [Spanish]|EB 382|Alminoprofen [INN:JAN]|Alminoprofene [INN-French]|Alminoprofenum [INN-Latin]|Alminoprofen... | alminoprofen | 2,097 |
1,8-dihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one | 1,8-dihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one | InChI=1S/C21H22O10/c22-6-8-4-10-15(12(25)5-8)17(27)14-9(2-1-3-11(14)24)20(10)31-21-19(29)18(28)16(26)13(7-23)30-21/h1-5,13,16,18-26,28-29H,6-7H2 | CPUHNROBVJNNPW-UHFFFAOYSA-N | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2OC4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO | 2005-03-25 | Casanthranol|8024-48-4|1,8-dihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one|CHEBI:168111|CPUHNROBVJNNPW-UHFFFAOYSA-N|AKOS026749943|CS-15445|DA-62076|FC106452|4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl hexopyranoside | Emodin | 2,098 |
Alosetron | 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one | InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19) | JSWZEAMFRNKZNL-UHFFFAOYSA-N | CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C | 2005-03-25 | alosetron|122852-42-0|Lotronex|GR68755|CHEBI:253342|Alosetron (INN)|UNII-13Z9HTH115|A03AE01|13Z9HTH115|1H-Pyrido(4,3-b)indol-1-one, 2,3,4,5-tetrahydro-5-methyl-2-((5-methyl-1H-imidazol-4-yl)methyl)-|2,3,4,5-Tetrahydro-5-methyl-2-((5-methyl-1H-imidazol-4-yl)methyl)-1H-pyrido(4,3-b)indol-1-one|5-methyl-2-[(5-methyl-1H-im... | alosetron | 2,099 |
2-[34-Butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide | 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide | InChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(... | CIORWBWIBBPXCG-UHFFFAOYSA-N | CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)O | 2005-03-25 | alpha-amanitin|23109-05-9|alpha-Amanitine|Amanitin|alpha -Amanitin|CBiol_001932|CERAPP_20658|SCHEMBL3506327|BCBcMAP01_000054|DTXSID90860291|CIORWBWIBBPXCG-UHFFFAOYSA-N|Bio1_000218|Bio1_000707|Bio1_001196|SMP1_000013|DA-60946|LS-15416|alpha-Amanitin, from Amanita phalloides, >=90% (HPLC), powder|2-[(2,3-dihydroxy-1-meth... | Alpha-Amanitin | 2,100 |
2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid | 2-cyano-3-(3-hydroxyphenyl)prop-2-enoic acid | InChI=1S/C10H7NO3/c11-6-8(10(13)14)4-7-2-1-3-9(12)5-7/h1-5,12H,(H,13,14) | HPLNTJVXWMJLNJ-UHFFFAOYSA-N | C1=CC(=CC(=C1)O)C=C(C#N)C(=O)O | 2005-03-25 | 54673-07-3|2-Cyano-3-(3-hydroxyphenyl)acrylic Acid|2-cyano-3-(3-hydroxyphenyl)prop-2-enoic acid|2-cyano-3-(3-hydroxyphenyl)-2-propenoic acid|cyano-3-hydroxycinnamic acid|KBio2_004545|Spectrum_001497|Spectrum2_001471|Spectrum3_001505|Spectrum4_000333|(2E)-2-cyano-3-(3-hydroxyphenyl)prop-2-enoic acid|KBioGR_000705|KBioSS... | alpha-cyano-3-hydroxycinnamate | 2,101 |
alpha-Cyano-4-hydroxycinnamate | 2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid | InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14) | AFVLVVWMAFSXCK-UHFFFAOYSA-N | C1=CC(=CC=C1C=C(C#N)C(=O)O)O | 2005-03-25 | 28166-41-8|alpha-Cyano-4-hydroxycinnamate|2-cyano-4-hydroxycinnamate|4-hydroxy-alpha-cyanocinnamate|NSC 173138|2-Cyano-3-(4-hydroxyphenyl)acrylic acid|EINECS 248-879-1|NL5EEM9E2G|a-Cyano-4-hydroxycinnamic acid|2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid|Spectrum_001499|2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-|4-... | alpha-cyano-4-hydroxycinnamate | 2,102 |
2-Guanidinopentanedioic acid | 2-(diaminomethylideneamino)pentanedioic acid | InChI=1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9) | RHVVRMJOHATSPD-UHFFFAOYSA-N | C(CC(=O)O)C(C(=O)O)N=C(N)N | 2005-03-25 | 2-Guanidinopentanedioic acid|74318-14-2|73477-53-9|2-(diaminomethylideneamino)pentanedioic acid|Pentanedioic acid,[(aminoiminomethyl)amino]- (9CI)|alpha-Guanidinoglutaric|-Guanidinoglutaric acid|2-CARBAMIMIDAMIDOPENTANEDIOIC ACID|SCHEMBL910174|CHEBI:180917|AKOS006228489|Pentanedioic acid, ((aminoiminomethyl)amino)- | alpha-guanidinoglutaric acid | 2,105 |
alpha-Methyl-5-hydroxytryptamine | 3-(2-aminopropyl)-1H-indol-5-ol | InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3 | LYPCGXKCQDYTFV-UHFFFAOYSA-N | CC(CC1=CNC2=C1C=C(C=C2)O)N | 2005-03-25 | 3-(2-aminopropyl)-1H-indol-5-ol|alpha-methyl-5-HT|304-52-9|alpha-Methylserotonin|1H-Indol-5-ol, 3-(2-aminopropyl)-|alpha-Methyl-5-hydroxytryptamine|5Y83TBC5NM|Indol-5-ol, 3-(2-aminopropyl)-|CHEMBL275854|5-hydroxy-alpha-methyltryptamine|CHEBI:48295|DTXSID10657549|(+/-)-alpha-Methyl-5-hydroxytryptamine|.ALPHA.-METHYL-5-H... | alpha-methylserotonin | 2,107 |
beta-D-Galactopyranoside, methyl | 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol | InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3 | HOVAGTYPODGVJG-UHFFFAOYSA-N | COC1C(C(C(C(O1)CO)O)O)O | 2005-03-25 | 709-50-2|2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol|.beta.-D-Glucopyranoside, methyl|.beta.-D-Galactopyranoside, methyl|.beta.-Methyl-D-galactopyranoside|methyl-D-glucoside|alpha-D-Methylglucoside|.beta.-D-Galactopyranose methyl glycoside|Methyl .beta.-galactoside|Methyl ?-D-Galactopyranoside|688007-20-7|Glucopyranos... | methylglucoside | 2,108 |
2-Methylaspartic acid | 2-amino-2-methylbutanedioic acid | InChI=1S/C5H9NO4/c1-5(6,4(9)10)2-3(7)8/h2,6H2,1H3,(H,7,8)(H,9,10) | CWAYDJFPMMUKOI-UHFFFAOYSA-N | CC(CC(=O)O)(C(=O)O)N | 2005-03-25 | 2-Amino-2-methylsuccinic acid|2792-66-7|alpha-Methyl-DL-aspartic acid|2-Methyl-DL-aspartic acid|2-Methylaspartic acid|DL-Aspartic acid, 2-methyl-|70W4HTK6W3|NSC-153559|2-amino-2-methylbutanedioic acid|alpha-Methyl-DL-aspartate|DL-2-Methylaspartic acid|UNII-70W4HTK6W3|DL-alpha-Methylaspartic acid|NSC 153559|Aspartic aci... | 2-methylaspartic acid | 2,109 |
alpha-Methyl-m-tyrosine | 2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid | InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-3-2-4-8(12)5-7/h2-5,12H,6,11H2,1H3,(H,13,14) | CAHPJJJZLQXPKS-UHFFFAOYSA-N | CC(CC1=CC(=CC=C1)O)(C(=O)O)N | 2005-03-25 | alpha-Methyl-m-tyrosine|305-96-4|dl-alpha-Methyl-m-tyrosine|a-mmt|62-25-9|alpha-Methyl-D,L-m-tyrosine|A-METHYL-D,L-M-TYROSINE|2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid|alpha-Methyl-DL-m-tyrosine|DL-.alpha.-Methyl-m-tyrosine|Phenylalanine, 3-hydroxy-.alpha.-methyl-|EINECS 206-172-5|9UL7R46488|AI3-62543|DTXSID20... | alpha-methyl-m-tyrosine | 2,110 |
alpha-Methyltyrosine methyl ester | methyl 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoate | InChI=1S/C11H15NO3/c1-11(12,10(14)15-2)7-8-3-5-9(13)6-4-8/h3-6,13H,7,12H2,1-2H3 | WYJJUDJUEGRXHZ-UHFFFAOYSA-N | CC(CC1=CC=C(C=C1)O)(C(=O)OC)N | 2005-03-25 | alpha-Methyltyrosine methyl ester|4502-13-0|racemetirosine methyl ester|N73778YX9N|alpha-Methylparatyrosine methylester|alpha-Methyl-DL-tyrosine methyl ester|DL-Tyrosine, alpha-methyl-, methyl ester|UNII-N73778YX9N|alpha-Methyl-p-tyrosine methyl ester|alpha-Methyl-para-tyrosine methyl ester|Tyrosine, .alpha.-methyl-, m... | alpha-methyltyrosine methyl ester | 2,112 |
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