 | | 9J7 | | Name: | 1-(2,3-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(c(c(F)c(C)cc1)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | InChi: | InChI=1S/C20H22F2N2O3S/c1-3-10-24-17-8-7-16(11-14(17)6-9-18(24)25)23-28(26,27)12-15-5-4-13(2)19(21)20(15)22/h4-5,7-8,11,23H,3,6,9-10,12H2,1-2H3 | | Synonyms: | AMF2alpha | | Definition date: | 2017-05-15 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-15 | | Identifier: | 1-(2,3-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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 | | 256 | | Name: | PHENYL(SULFO)ACETIC ACID | | Formula: | C8 H8 O5 S | | SMILES: | O=S(=O)(O)C(C(=O)O)c1ccccc1 | | InChi: | InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)/t7-/m1/s1 | | Synonyms: | RU79256 | | Definition date: | 2003-06-20 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-phenyl(sulfo)ethanoic acid |
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 | | 25H | | Name: | {2-[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid | | Formula: | C9 H14 N5 O5 P | | SMILES: | O=P(O)(O)CCOCCn1c2N=C(NC(=O)c2nc1)N | | InChi: | InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-5-14(7)1-2-19-3-4-20(16,17)18/h5H,1-4H2,(H2,16,17,18)(H3,10,12,13,15) | | Synonyms: | 9-(2-phosphonoethoxyethyl)guanine | | Definition date: | 2009-03-05 | | Last modified: | 2021-03-01 | | Identifier: | {2-[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid |
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 | | 25L | | Name: | [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate | | Formula: | C30 H40 N15 O25 P5 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[CH]5[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)O[CH]4n8cnc9c(N)ncnc89)[CH](O)[CH]3O | | InChi: | InChI=1S/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1 | | Synonyms: | 2'-5'-oligoadenylate trimer | | Definition date: | 2009-09-15 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-05 | | Identifier: | [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
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 | | CPL | | Name: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | | Formula: | C42 H80 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCC=C/CC=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1 | | Synonyms: | PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE | | Definition date: | 2002-05-10 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate |
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 | | CPQ | | Name: | N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE | | Formula: | C42 H75 N3 O15 | | SMILES: | O=C(NCCCN(C(=O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C)CCCNC(=O)C(O)C(O)C(O)C(O)CO)C(O)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1 | | Synonyms: | DEOXY-BIGCHAP | | Definition date: | 2001-03-30 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3S,4R,5R,2'R,3'S,4'R,5'R)-N,N'-[({(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl}imino)dipropane-3,1-diyl]bis(2,3,4,5,6-pentahydroxyhexanamide) (non-preferred name) |
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 | | 274 | | Name: | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE | | Formula: | C28 H30 Cl N5 O4 S | | SMILES: | O=C(N1CCN(C)CC1)c5c(c(/C=C3/c2cc(ccc2NC3=O)S(=O)(=O)N(c4cccc(Cl)c4)C)nc5C)C | | InChi: | InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16- | | Synonyms: | MET KINASE INHIBITOR | | Definition date: | 2006-10-17 | | Last modified: | 2021-03-01 | | Identifier: | (3Z)-N-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide |
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 | | CQL | | Name: | 5-chloro-7-iodoquinolin-8-ol | | Formula: | C9 H5 Cl I N O | | SMILES: | Ic1c(O)c2ncccc2c(Cl)c1 | | InChi: | InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H | | Synonyms: | Clioquinol | | Definition date: | 2009-10-28 | | Last modified: | 2021-03-01 | | Identifier: | 5-chloro-7-iodoquinolin-8-ol |
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 | | 27R | | Name: | [2-amino-3-(4-bromobenzoyl)phenyl]acetic acid | | Formula: | C15 H12 Br N O3 | | SMILES: | O=C(c1ccc(Br)cc1)c2cccc(c2N)CC(=O)O | | InChi: | InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19) | | Synonyms: | Bromfenac | | Definition date: | 2013-09-05 | | Last modified: | 2021-03-01 | | Release date: | 2013-09-18 | | Identifier: | [2-amino-3-(4-bromobenzoyl)phenyl]acetic acid |
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 | | CRM | | Name: | 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID | | Formula: | C14 H18 N4 O9 | | SMILES: | O=C1NC(=O)NC=2N(C(=O)C(=NC1=2)CCC(=O)O)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24H,1-4H2,(H,22,23)(H2,16,17,25,27)/t6-,7+,10-/m0/s1 | | Synonyms: | CARBOXYETHYLLUMAZINE | | Definition date: | 2002-02-13 | | Last modified: | 2021-03-01 | | Identifier: | 1-[6-(2-carboxyethyl)-2,4,7-trioxo-1,3,4,7-tetrahydropteridin-8(2H)-yl]-1-deoxy-D-ribitol |
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 | | CRN | | Name: | N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE | | Formula: | C4 H9 N3 O2 | | SMILES: | O=C(O)CN(C(=[N@H])N)C | | InChi: | InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) | | Synonyms: | CREATINE | | Definition date: | 2003-12-30 | | Last modified: | 2021-03-01 | | Identifier: | N-carbamimidoyl-N-methylglycine |
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 | | CS1 | | Name: | S-(2-ANILINYL-SULFANYL)-CYSTEINE | | Formula: | C9 H12 N2 O2 S2 | | SMILES: | O=C(O)C(N)CSSc1ccccc1N | | InChi: | InChI=1S/C9H12N2O2S2/c10-6-3-1-2-4-8(6)15-14-5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)/t7-/m0/s1 | | Synonyms: | 3-[(2-AMINOPHENYL)DITHIO]-L-ALANINE | | Definition date: | 2007-02-02 | | Last modified: | 2021-03-01 | | Identifier: | 3-[(2-aminophenyl)disulfanyl]-L-alanine |
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 | | CS2 | | Name: | D-MANNONIC ACID | | Formula: | C6 H12 O7 | | SMILES: | O=C(O)C(O)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5+/m1/s1 | | Synonyms: | D-MANNONATE | | Definition date: | 2007-07-18 | | Last modified: | 2021-03-01 | | Identifier: | D-mannonic acid |
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 | | CS3 | | Name: | S-[3-OXO-3-(2-THIENYL)PROPYL]-L-CYSTEINE | | Formula: | C10 H13 N O3 S2 | | SMILES: | O=C(c1sccc1)CCSCC(C(=O)O)N | | InChi: | InChI=1S/C10H13NO3S2/c11-7(10(13)14)6-15-5-3-8(12)9-2-1-4-16-9/h1-2,4,7H,3,5-6,11H2,(H,13,14)/t7-/m0/s1 | | Synonyms: | (R)-2-AMINO-3-(3-OXO-3-(THIOPHEN-2-YL)PROPYLTHIO)PROPANOIC ACID | | Definition date: | 2007-02-07 | | Last modified: | 2021-03-01 | | Identifier: | S-(3-oxo-3-thiophen-2-ylpropyl)-L-cysteine |
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 | | CSL | | Name: | (D)-2'-METHYLSELENYL-2'-DEOXYCYTIDINE-5'-PHOSPHATE | | Formula: | C10 H16 N3 O7 P Se | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2[Se]C)COP(=O)(O)O | | InChi: | InChI=1S/C10H16N3O7PSe/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1 | | Synonyms: | (D)-2'-DEOXY-2'-SE-METHYLCYTIDINE-5'-PHOSPHATE | | Definition date: | 2005-02-15 | | Last modified: | 2021-03-01 | | Identifier: | 2'-Se-methyl-2'-selenocytidine 5'-(dihydrogen phosphate) |
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 | | CTM | | Name: | (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid | | Formula: | C22 H22 Cl N O4 S | | SMILES: | O=C(O)C(OCC)Cc3c(cc(OCc1nc(sc1)c2ccc(Cl)cc2)cc3)C | | InChi: | InChI=1S/C22H22ClNO4S/c1-3-27-20(22(25)26)11-16-6-9-19(10-14(16)2)28-12-18-13-29-21(24-18)15-4-7-17(23)8-5-15/h4-10,13,20H,3,11-12H2,1-2H3,(H,25,26)/t20-/m0/s1 | | Synonyms: | 3-{4-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-2-methyl-phenyl}-2-(S)-ethoxy-propionic acid | | Definition date: | 2008-12-02 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid |
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 | | CTN | | Name: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE | | Formula: | C9 H13 N3 O5 | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2O)CO | | InChi: | InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | CYTIDINE | | Definition date: | 2003-05-20 | | Last modified: | 2021-03-01 | | Identifier: | cytidine |
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 | | CTV | | Name: | (2Z)-3,7-dimethylocta-2,6-dienenitrile | | Formula: | C10 H15 N | | SMILES: | N#CC=C(/CC/C=C(/C)C)C | | InChi: | InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7- | | Synonyms: | citralva | | Definition date: | 2011-05-17 | | Last modified: | 2021-03-01 | | Identifier: | (2Z)-3,7-dimethylocta-2,6-dienenitrile |
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 | | CTX | | Name: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE | | Formula: | C26 H29 N O | | SMILES: | O(c1ccc(cc1)/C(c2ccccc2)=C(c3ccccc3)CC)CCN(C)C | | InChi: | InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- | | Synonyms: | TRANS FORM OF TAMOXIFEN | | Definition date: | 2005-01-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine |
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 | | 28S | | Name: | 6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine | | Formula: | C11 H10 Br N3 | | SMILES: | Brc2cc1c(ncnc1NCC=C)cc2 | | InChi: | InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15) | | Synonyms: | SMER28 | | Definition date: | 2011-07-12 | | Last modified: | 2021-03-01 | | Identifier: | 6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine |
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 | | CVD | | Name: | (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL | | Formula: | C24 H26 N2 O4 | | SMILES: | O(c4ccccc4OCCNCC(O)COc3cccc2c3c1c(cccc1)n2)C | | InChi: | InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m0/s1 | | Synonyms: | CARVEDILOL | | Definition date: | 2012-03-12 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-1-(9H-carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol |
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 | | 29P | | Name: | 3-[(5S)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid | | Formula: | C20 H24 N2 O9 | | SMILES: | O=C(O)CCc1c(nc(c1CC(=O)O)C)CC2C(=C(C(=O)N2)CCC(=O)O)CC(=O)O | | InChi: | InChI=1S/C20H24N2O9/c1-9-12(6-18(27)28)10(2-4-16(23)24)14(21-9)8-15-13(7-19(29)30)11(20(31)22-15)3-5-17(25)26/h15,21H,2-8H2,1H3,(H,22,31)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/t15-/m0/s1 | | Synonyms: | Dipyrromethanone | | Definition date: | 2013-09-12 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-02 | | Identifier: | 3-[(5S)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid |
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 | | CVM | | Name: | CYMAL-4 | | Formula: | C22 H40 O11 | | SMILES: | O(CCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | | InChi: | InChI=1S/C22H40O11/c23-10-13-15(25)16(26)18(28)22(31-13)33-20-14(11-24)32-21(19(29)17(20)27)30-9-5-4-8-12-6-2-1-3-7-12/h12-29H,1-11H2/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1 | | Synonyms: | 4-CYCLOHEXYLBUTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE | | Definition date: | 2009-05-11 | | Last modified: | 2021-03-01 | | Identifier: | 4-cyclohexylbutyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | CWB | | Name: | 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide | | Formula: | C18 H24 N4 O | | SMILES: | O=C(c2nn(c1ccccc12)C)NC4CC3N(C)C(CCC3)C4 | | InChi: | InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14- | | Synonyms: | GRANISETRON | | Definition date: | 2012-10-09 | | Last modified: | 2021-03-01 | | Release date: | 2012-12-21 | | Identifier: | 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide |
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 | | CWD | | Name: | 3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine | | Formula: | C7 H8 Cl N3 O4 | | SMILES: | O=C(O)C(N)CN1C=C(Cl)C(=O)NC1=O | | InChi: | InChI=1S/C7H8ClN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1 | | Synonyms: | chlorowillardiine | | Definition date: | 2011-05-04 | | Last modified: | 2021-03-01 | | Identifier: | 3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
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