 | | HPS | | Name: | PHENYL DIHYDROGEN PHOSPHATE | | Formula: | C6 H7 O4 P | | SMILES: | O=P(Oc1ccccc1)(O)O | | InChi: | InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) | | Synonyms: | PHENYLPHOSPHATE | | Definition date: | 2003-06-20 | | Last modified: | 2021-03-01 | | Identifier: | phenyl dihydrogen phosphate |
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 | | HQO | | Name: | 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE | | Formula: | C16 H21 N O2 | | SMILES: | [O-][n+]2c1ccccc1c(O)cc2CCCCCCC | | InChi: | InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3 | | Synonyms: | 2-HEPTYL-1-OXY-QUINOLIN-4-OL | | Definition date: | 2001-11-28 | | Last modified: | 2021-03-01 | | Identifier: | 2-heptylquinolin-4-ol 1-oxide |
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 | | HRO | | Name: | 5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C5 H3 Cl N2 O4 | | SMILES: | O=C1NC(C(=O)O)=C(Cl)C(=O)N1 | | InChi: | InChI=1S/C5H3ClN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12) | | Synonyms: | 5-Chloroorotic acid | | Definition date: | 2012-11-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-11-20 | | Identifier: | 5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | HS3 | | Name: | (2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide | | Formula: | C10 H12 N2 O6 S | | SMILES: | O=NC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)CO | | InChi: | InChI=1S/C10H12N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13H,6H2,1H3/t9-/m1/s1 | | Synonyms: | (R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide | | Definition date: | 2008-11-04 | | Last modified: | 2021-03-01 | | Identifier: | N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxo-D-serinamide |
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 | | HS5 | | Name: | 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide | | Formula: | C10 H11 F N2 O5 S | | SMILES: | O=S(=O)(c1ccc(F)cc1)N(CC(=O)N=O)CCO | | InChi: | InChI=1S/C10H11FN2O5S/c11-8-1-3-9(4-2-8)19(17,18)13(5-6-14)7-10(15)12-16/h1-4,14H,5-7H2 | | Synonyms: | 4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide | | Definition date: | 2008-11-04 | | Last modified: | 2021-03-01 | | Identifier: | N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-(2-hydroxyethyl)-N-oxoglycinamide |
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 | | HSI | | Name: | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | | Formula: | C24 H25 Cl O3 | | SMILES: | Clc2ccc(C#Cc1ccc(C(=O)C(CC(=O)O)CCCCCC)cc1)cc2 | | InChi: | InChI=1S/C24H25ClO3/c1-2-3-4-5-6-21(17-23(26)27)24(28)20-13-9-18(10-14-20)7-8-19-11-15-22(25)16-12-19/h9-16,21H,2-6,17H2,1H3,(H,26,27)/t21-/m1/s1 | | Synonyms: | (4-(4-(2-(4-CHLOROPHENYL)ETHYNYL)PHENYL))-3-HEXYL-4-OXOBUTANOIC ACID | | Definition date: | 2007-05-23 | | Last modified: | 2021-03-01 | | Identifier: | (3R)-3-({4-[(4-chlorophenyl)ethynyl]phenyl}carbonyl)nonanoic acid |
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 | | HT1 | | Name: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | | Formula: | C27 H28 N6 O | | SMILES: | O(c1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)N6CCN(C)CC6)CC | | InChi: | InChI=1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31) | | Synonyms: | HOECHST 33342 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2'-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole |
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 | | HT6 | | Name: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol | | Formula: | C18 H29 N5 O S | | SMILES: | OC1C(CSCCCCCC)CN(C1)Cc2cnc3c2ncnc3N | | InChi: | InChI=1S/C18H29N5OS/c1-2-3-4-5-6-25-11-14-9-23(10-15(14)24)8-13-7-20-17-16(13)21-12-22-18(17)19/h7,12,14-15,20,24H,2-6,8-11H2,1H3,(H2,19,21,22)/t14-,15+/m1/s1 | | Synonyms: | Hexylthio-DADMe-Immucillin-A | | Definition date: | 2017-09-11 | | Last modified: | 2021-03-01 | | Release date: | 2018-09-12 | | Identifier: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol |
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 | | HTQ | | Name: | HOMOTROPINE | | Formula: | C16 H21 N O3 | | SMILES: | O=C(OC2CC1N(C)C(CC1)C2)C(O)c3ccccc3 | | InChi: | InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14-,15-/m1/s1 | | Synonyms: | HYDROXY-PHENYL-ACETIC ACID 8-METHYL-8-AZA-BICYCLO[3.2.1]OCT-3-YL ESTER | | Definition date: | 2002-10-24 | | Last modified: | 2021-03-01 | | Identifier: | (3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-hydroxy(phenyl)ethanoate |
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 | | HTX | | Name: | heptan-2-one | | Formula: | C7 H14 O | | SMILES: | CCCCCC(C)=O | | InChi: | InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 | | Synonyms: | 2-heptanone | | Definition date: | 2009-11-05 | | Last modified: | 2021-03-01 | | Identifier: | heptan-2-one |
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 | | HWU | | Name: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | Formula: | C17 H27 N3 O16 P2 S | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3SC(C(O)C(O)C3NC(=O)C)CO)O)O | | InChi: | InChI=1S/C17H27N3O16P2S/c1-6(22)18-10-13(26)12(25)8(4-21)39-16(10)35-38(31,32)36-37(29,30)33-5-7-11(24)14(27)15(34-7)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12+,13-,14-,15-,16?/m1/s1 | | Synonyms: | URIDINE DIPHOSPHO-5-THIO-N-ACETYLGALACTOSAMINE | | Definition date: | 2014-04-30 | | Last modified: | 2021-03-01 | | Release date: | 2014-05-28 | | Identifier: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | HXK | | Name: | 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid | | Formula: | C22 H28 O4 S | | SMILES: | O=C(O)c2ccccc2SCc1cc(O)cc(OCCCCCCCC)c1 | | InChi: | InChI=1S/C22H28O4S/c1-2-3-4-5-6-9-12-26-19-14-17(13-18(23)15-19)16-27-21-11-8-7-10-20(21)22(24)25/h7-8,10-11,13-15,23H,2-6,9,12,16H2,1H3,(H,24,25) | | Synonyms: | BPH-1182 | | Definition date: | 2011-06-17 | | Last modified: | 2021-03-01 | | Release date: | 2016-09-07 | | Identifier: | 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid |
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 | | HXT | | Name: | 2-hydroxy-1-phenylethanone | | Formula: | C8 H8 O2 | | SMILES: | O=C(c1ccccc1)CO | | InChi: | InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2 | | Synonyms: | 2-Hydroxyacetophenone | | Definition date: | 2013-12-26 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-16 | | Identifier: | 2-hydroxy-1-phenylethanone |
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 | | HYF | | Name: | 4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE | | Formula: | C35 H52 O4 | | SMILES: | O=C1C2(C(O)=C(C(=O)C1(CC(CC=C(/C)C)C2(C)CCC=C(/C)C)CC=C(/C)C)CC=C(/C)C)C(=O)C(C)C | | InChi: | InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33-,34-,35+/m1/s1 | | Synonyms: | HYPERFORIN | | Definition date: | 2002-06-25 | | Last modified: | 2021-03-01 | | Identifier: | (1R,5S,6R,7R)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione |
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 | | A15 | | Name: | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-1-ONE | | Formula: | C24 H14 Cl2 O4 | | SMILES: | Clc1c(O)ccc(c1)C4(OC(=O)c2c3c(ccc2)cccc34)c5ccc(O)c(Cl)c5 | | InChi: | InChI=1S/C24H14Cl2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H | | Synonyms: | A156 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 3,3-bis(3-chloro-4-hydroxyphenyl)-1H,3H-benzo[de]isochromen-1-one |
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 | | A1F | | Name: | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | | Formula: | C20 H23 F N2 O3 S | | SMILES: | c1(c(F)cc(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | InChi: | InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-15(19)6-9-20(23)24)22-27(25,26)13-16-5-4-14(2)11-18(16)21/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3 | | Synonyms: | AMF1alpha | | Definition date: | 2017-05-15 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-15 | | Identifier: | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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 | | A24 | | Name: | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE | | Formula: | C19 H27 N3 O10 | | SMILES: | [O-][N+](=O)c3cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NCCN2CCOCC2)c3 | | InChi: | InChI=1S/C19H27N3O10/c23-10-14-15(24)16(25)17(26)19(32-14)31-13-8-11(7-12(9-13)22(28)29)18(27)20-1-2-21-3-5-30-6-4-21/h7-9,14-17,19,23-26H,1-6,10H2,(H,20,27)/t14-,15+,16+,17-,19+/m1/s1 | | Synonyms: | BMSC-0011 | | Definition date: | 2001-08-16 | | Last modified: | 2021-03-01 | | Identifier: | 3-(alpha-D-galactopyranosyloxy)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide |
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 | | A26 | | Name: | (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide | | Formula: | C12 H9 F3 N2 O2 | | SMILES: | O=C(Nc1ccc(cc1)C(F)(F)F)C(/C#N)=C(O)C | | InChi: | InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7- | | Synonyms: | ANTIPROLIFERATIVE AGENT A771726 | | Definition date: | 1999-10-01 | | Last modified: | 2021-03-01 | | Identifier: | (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide |
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 | | A2D | | Name: | BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL} DIHYDROGEN DIPHOSPHATE | | Formula: | C20 H26 N10 O13 P2 | | SMILES: | O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O | | InChi: | InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(41-19)1-39-44(35,36)43-45(37,38)40-2-8-12(32)14(34)20(42-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | | Synonyms: | BIS(ADENOSINE)-5'-DIPHOSPHATE | | Definition date: | 2006-10-25 | | Last modified: | 2021-03-01 | | Identifier: | bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate (non-preferred name) |
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 | | A2F | | Name: | 2-fluoroadenine | | Formula: | C5 H4 F N5 | | SMILES: | Fc1nc(c2c(n1)ncn2)N | | InChi: | InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11) | | Synonyms: | 2-fluoro-7H-purin-6-amine | | Definition date: | 2009-02-20 | | Last modified: | 2021-03-01 | | Identifier: | 2-fluoro-7H-purin-6-amine |
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 | | A2N | | Name: | [(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | Formula: | C17 H26 N6 O14 P2 | | SMILES: | O=C(NC1C(O)C(OC1O)COP(=O)(O)OP(=O)(OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)O)C | | InChi: | InChI=1S/C17H26N6O14P2/c1-6(24)22-9-11(25)7(36-17(9)28)2-33-38(29,30)37-39(31,32)34-3-8-12(26)13(27)16(35-8)23-5-21-10-14(18)19-4-20-15(10)23/h4-5,7-9,11-13,16-17,25-28H,2-3H2,1H3,(H,22,24)(H,29,30)(H,31,32)(H2,18,19,20)/t7-,8-,9-,11-,12-,13-,16-,17-/m1/s1 | | Synonyms: | 2'-N-Acetyl ADP ribose | | Definition date: | 2010-11-16 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | A2V | | Name: | 1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | | Formula: | C20 H22 F2 N2 O3 S | | SMILES: | c1(cc(F)c(C)c(c1)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | InChi: | InChI=1S/C20H22F2N2O3S/c1-3-8-24-19-6-5-16(11-15(19)4-7-20(24)25)23-28(26,27)12-14-9-17(21)13(2)18(22)10-14/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3 | | Synonyms: | AMF2beta | | Definition date: | 2017-05-15 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-15 | | Identifier: | 1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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 | | A3W | | Name: | 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine | | Formula: | C17 H20 F3 N7 O2 | | SMILES: | Nc1cc(c(cn1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F | | InChi: | InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22) | | Synonyms: | PQR309 | | Definition date: | 2017-08-10 | | Last modified: | 2021-03-01 | | Release date: | 2017-09-06 | | Identifier: | 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine |
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 | | A7E | | Name: | 3-ethynyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C12 H14 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2nc(C#C)c1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C12H14N5O7P/c1-2-5-7-10(13)14-4-15-11(7)17(16-5)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h1,4,6,8-9,12,18-19H,3H2,(H2,13,14,15)(H2,20,21,22)/t6-,8-,9-,12-/m1/s1 | | Synonyms: | 8-aza-7-deaza-7-ethynyl Adenosine | | Definition date: | 2013-11-22 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-02 | | Identifier: | 3-ethynyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | A88 | | Name: | (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE | | Formula: | C34 H37 N3 O6 | | SMILES: | O=C1N(C(C(O)CN(N1Cc2ccc(O)c(OC)c2)Cc3ccccc3)Cc4ccccc4)Cc5ccc(O)c(OC)c5 | | InChi: | InChI=1S/C34H37N3O6/c1-42-32-18-26(13-15-29(32)38)21-36-28(17-24-9-5-3-6-10-24)31(40)23-35(20-25-11-7-4-8-12-25)37(34(36)41)22-27-14-16-30(39)33(19-27)43-2/h3-16,18-19,28,31,38-40H,17,20-23H2,1-2H3/t28-,31-/m1/s1 | | Synonyms: | A-98881 | | Definition date: | 1999-07-07 | | Last modified: | 2021-03-01 | | Identifier: | (5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1,2,4-triazepan-3-one |
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