 | | BP7 | | Name: | 1,1'-BIPHENYL-3,4-DIOL | | Formula: | C12 H10 O2 | | SMILES: | Oc2ccc(c1ccccc1)cc2O | | InChi: | InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H | | Synonyms: | 3,4-DIHYDROXYBIPHENYL | | Definition date: | 2005-12-14 | | Last modified: | 2021-03-13 | | Identifier: | biphenyl-3,4-diol |
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 | | FSD | | Name: | amicetin | | Formula: | C29 H42 N6 O9 | | SMILES: | CC1OC(CCC1OC2C(C(C(C(C)O2)N(C)C)O)O)N4C=CC(NC(=O)c3ccc(cc3)NC(C(C)(CO)N)=O)=NC4=O | | InChi: | InChI=1S/C29H42N6O9/c1-15-19(44-26-24(38)23(37)22(34(4)5)16(2)43-26)10-11-21(42-15)35-13-12-20(33-28(35)41)32-25(39)17-6-8-18(9-7-17)31-27(40)29(3,30)14-36/h6-9,12-13,15-16,19,21-24,26,36-38H,10-11,14,30H2,1-5H3,(H,31,40)(H,32,33,39,41)/t15-,16-,19+,21-,22-,23+,24-,26-,29+/m1/s1 | | Synonyms: | (4S)-N-{(4S)-1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl}-4-[(2-methyl-D-seryl)amino]cyclohexa-1,5-diene-1-carboxamide | | Definition date: | 2018-04-16 | | Last modified: | 2021-03-13 | | Release date: | 2019-04-10 | | Identifier: | N-{1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}-4-[(2-methyl-L-seryl)amino]benzamide |
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 | | FSY | | Name: | fevipiprant | | Formula: | C19 H17 F3 N2 O4 S | | SMILES: | OC(Cc1c3c(n(c1C)Cc2ccc(cc2C(F)(F)F)S(=O)(=O)C)nccc3)=O | | InChi: | InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26) | | Synonyms: | (2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid | | Definition date: | 2018-04-16 | | Last modified: | 2021-03-13 | | Release date: | 2018-10-03 | | Identifier: | (2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid |
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 | | T8B | | Name: | Thermorubin | | Formula: | C32 H24 O12 | | SMILES: | O=C(OC)C=5OC(=O)c4c(O)c3c(OC)c2c(OC)c(C(=O)C=C(/O)c1ccccc1O)c(cc2cc3cc4C=5)CC(=O)O | | InChi: | InChI=1S/C32H24O12/c1-41-29-24(21(35)13-20(34)18-6-4-5-7-19(18)33)17(12-23(36)37)10-15-8-14-9-16-11-22(31(39)43-3)44-32(40)26(16)28(38)25(14)30(42-2)27(15)29/h4-11,13,33-34,38H,12H2,1-3H3,(H,36,37)/b20-13- | | Synonyms: | {12-hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho[2,3-g]isochromen-8-yl}acetic acid | | Definition date: | 2011-12-09 | | Last modified: | 2021-03-13 | | Identifier: | {12-hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho[2,3-g]isochromen-8-yl}acetic acid |
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 | | FTN | | Name: | N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide | | Formula: | C17 H16 F3 N O2 | | SMILES: | CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 | | InChi: | InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22) | | Synonyms: | flutolanil | | Definition date: | 2010-02-19 | | Last modified: | 2021-03-13 | | Identifier: | N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide |
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 | | FTO | | Name: | ~{tert}-butyl ~{N}-[(2~{S},3~{R},5~{R})-6-[[(2~{S})-1-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate | | Formula: | C39 H52 N4 O6 | | SMILES: | CC(C)C[CH](NC(=O)[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)C(=O)N[CH](Cc3ccccc3)C(N)=O | | InChi: | InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1 | | Synonyms: | L-685,458 | | Definition date: | 2020-06-15 | | Last modified: | 2021-03-13 | | Release date: | 2021-01-27 | | Identifier: | ~{tert}-butyl ~{N}-[(2~{S},3~{R},5~{R})-6-[[(2~{S})-1-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate |
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 | | TA8 | | Name: | POLYACRYLIC ACID | | Formula: | C12 H18 O8 | | SMILES: | O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C | | InChi: | InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1 | | Synonyms: | OCTANE-1,3,5,7-TETRACARBOXYLIC ACID | | Definition date: | 2011-11-08 | | Last modified: | 2021-03-13 | | Identifier: | (3S,5S,7S)-octane-1,3,5,7-tetracarboxylic acid |
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 | | TAO | | Name: | TROLEANDOMYCIN | | Formula: | C41 H67 N O15 | | SMILES: | O=C(OC4C(N(C)C)CC(OC4OC3C(C(OC1OC(C(OC(=O)C)C(OC)C1)C)C(C(=O)OC(C)C(C)C(OC(=O)C)C(C(=O)C2(OC2)CC3C)C)C)C)C)C | | InChi: | InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20-,21+,22-,23-,24-,25-,26+,30+,31+,32+,33+,34-,35+,36+,37-,40+,41-/m1/s1 | | Synonyms: | (3R,5S,6S,7R,8S,11S,12R,13S,14R,15S)-12-[(4-O-ACETYL-2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSYL)OXY]-14-{[2-O-ACETYL-3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-1,9-DIOXASPIRO[2.13]HEXADEC-6-YL ACETATE | | Definition date: | 2003-03-03 | | Last modified: | 2021-03-13 | | Identifier: | (3R,5R,6R,7S,8R,11R,12S,13R,14S,15R)-12-[(4-O-acetyl-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-14-{[2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadec-6-yl acetate |
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 | | FX4 | | Name: | [(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | | Formula: | C15 H13 N O8 S | | SMILES: | O=C(O)CN1C(=O)C(SC1=O)=Cc2ccc(OC)c(OCC(=O)O)c2 | | InChi: | InChI=1S/C15H13NO8S/c1-23-9-3-2-8(4-10(9)24-7-13(19)20)5-11-14(21)16(6-12(17)18)15(22)25-11/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)/b11-5- | | Synonyms: | [5-(3-carboxymethoxy-4-methoxybenzylidene)-2,4-dioxothiazolidin-3-yl]acetic acid | | Definition date: | 2009-01-21 | | Last modified: | 2021-03-13 | | Identifier: | [(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid |
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 | | TC2 | | Name: | N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide | | Formula: | C26 H29 N5 O9 | | SMILES: | O=C3C=CC=C(C(=O)NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)c2cccc(O)c2O)N3O | | InChi: | InChI=1S/C26H29N5O9/c32-19-7-1-4-16(22(19)35)24(37)27-10-13-30(14-11-28-25(38)17-5-2-8-20(33)23(17)36)15-12-29-26(39)18-6-3-9-21(34)31(18)40/h1-9,32-33,35-36,40H,10-15H2,(H,27,37)(H,28,38)(H,29,39) | | Synonyms: | Tren bis-2,3-catecholamido mono-N-hydroxypyridin-2-one-6-amide | | Definition date: | 2009-06-19 | | Last modified: | 2021-03-13 | | Identifier: | N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide |
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 | | TC8 | | Name: | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one | | Formula: | C15 H10 F2 N2 O S | | SMILES: | Fc3cccc(F)c3N1C(=O)c2c(N=C1SC)cccc2 | | InChi: | InChI=1S/C15H10F2N2OS/c1-21-15-18-12-8-3-2-5-9(12)14(20)19(15)13-10(16)6-4-7-11(13)17/h2-8H,1H3 | | Synonyms: | 3-(2,6-difluorophenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one | | Definition date: | 2009-02-03 | | Last modified: | 2021-03-13 | | Identifier: | 3-(2,6-difluorophenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one |
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 | | TCW | | Name: | Tolcapone | | Formula: | C14 H11 N O5 | | SMILES: | [O-][N+](=O)c2cc(C(=O)c1ccc(cc1)C)cc(O)c2O | | InChi: | InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 | | Synonyms: | (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone | | Definition date: | 2011-06-09 | | Last modified: | 2021-03-13 | | Identifier: | (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone |
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 | | TDI | | Name: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL | | Formula: | C13 H19 N5 O S | | SMILES: | S(C)CC3CN(Cc2cnc1c2ncnc1N)CC3O | | InChi: | InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1 | | Synonyms: | (3R,4S)-1-[9-DEAZAADENIN-9-YL)METHYL]-3-HYDROXY-4-(METHYLTHIOMETHYL)PYRROLIDINE | | Definition date: | 2004-12-13 | | Last modified: | 2021-03-13 | | Identifier: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol |
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 | | 1N7 | | Name: | CHAPSO | | Formula: | C32 H59 N2 O8 S | | SMILES: | O=S(=O)(O)CC(O)C[N+](C)(C)CCCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C | | InChi: | InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/p+1/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1 | | Synonyms: | 2-hydroxy-N,N-dimethyl-3-sulfo-N-(3-{[(3beta,5beta,7beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)propan-1-aminium | | Definition date: | 2013-04-04 | | Last modified: | 2021-03-13 | | Release date: | 2013-05-01 | | Identifier: | 2-hydroxy-N,N-dimethyl-3-sulfo-N-(3-{[(3beta,5beta,7beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)propan-1-aminium |
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 | | FYX | | Name: | 4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE | | Formula: | C13 H8 N6 | | SMILES: | N#Cc3nccc(c2nc(c1ccncc1)nn2)c3 | | InChi: | InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19) | | Synonyms: | 4-[5-PYRIDIN-4-YL-1H-[1,2,4]TRIAZOL-3-YL]-PYRIDINE-2-CARBONITRILE | | Definition date: | 2004-01-22 | | Last modified: | 2021-03-13 | | Identifier: | 4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile |
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 | | FZS | | Name: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C14 H17 N5 O5 S2 | | SMILES: | OCC(NC(C(=N/OC)c1csc(N)n1)=O)C2N=C(C(O)=O)C(=C)/CS2 | | InChi: | InChI=1S/C14H17N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h5,7,12,20H,1,3-4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12+/m0/s1 | | Synonyms: | Ceftriaxone open, bound form | | Definition date: | 2018-05-01 | | Last modified: | 2021-03-13 | | Release date: | 2018-06-27 | | Identifier: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | TEL | | Name: | TELITHROMYCIN | | Formula: | C43 H65 N5 O10 | | SMILES: | CC12C(CC)OC(C(C)C(=O)C(C)C(C(CC(C(C(C1N(C(O2)=O)CCCCn3cnc(c3)c4cccnc4)C)=O)C)(OC)C)OC5C(C(N(C)C)CC(O5)C)O)=O | | InChi: | InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1 | | Synonyms: | (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-{4-[4-(pyridin-3-yl)-1H-imidazol-1-yl]butyl}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside | | Definition date: | 2003-05-14 | | Last modified: | 2021-03-13 | | Identifier: | (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-{4-[4-(pyridin-3-yl)-1H-imidazol-1-yl]butyl}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside |
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 | | 1OH | | Name: | 4-(1-methyl-1-phenylethyl)phenol | | Formula: | C15 H16 O | | SMILES: | Oc1ccc(cc1)C(c2ccccc2)(C)C | | InChi: | InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3 | | Synonyms: | 2-(4'-Hydroxyphenyl)-2-phenylpropane | | Definition date: | 2007-10-11 | | Last modified: | 2021-03-13 | | Identifier: | 4-(1-methyl-1-phenylethyl)phenol |
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 | | G12 | | Name: | 3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE | | Formula: | C10 H6 Br2 O3 | | SMILES: | Brc2c(O)ccc1c2OC(=O)C(Br)=C1C | | InChi: | InChI=1S/C10H6Br2O3/c1-4-5-2-3-6(13)8(12)9(5)15-10(14)7(4)11/h2-3,13H,1H3 | | Synonyms: | 3,8-DIBROMO-7-HYDROXY-4-METHYLCHROMEN-2-ONE | | Definition date: | 2007-06-28 | | Last modified: | 2021-03-13 | | Identifier: | 3,8-dibromo-7-hydroxy-4-methyl-2H-chromen-2-one |
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 | | 1PU | | Name: | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA | | Formula: | C17 H16 N4 O2 | | SMILES: | O=C3c1c(c(ccc1)NC(=O)Nc2ncccc2)C4N3CCC4 | | InChi: | InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1 | | Synonyms: | N'-(PYRROLIDINO[2,1-B]ISOINDOLIN-4-ON-8-YL)-N-(PYRIDIN-2-YL)UREA | | Definition date: | 2001-02-09 | | Last modified: | 2021-03-13 | | Identifier: | 1-[(9bR)-5-oxo-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindol-9-yl]-3-pyridin-2-ylurea |
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 | | TGC | | Name: | 3-thiaglutaryl-CoA | | Formula: | C25 H40 N7 O19 P3 S2 | | SMILES: | O=C(O)CSCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C25H40N7O19P3S2/c1-25(2,20(38)23(39)28-4-3-14(33)27-5-6-56-16(36)9-55-8-15(34)35)10-48-54(45,46)51-53(43,44)47-7-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20+,24-/m1/s1 | | Synonyms: | (3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18,21-dithia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide | | Definition date: | 2007-09-14 | | Last modified: | 2021-03-13 | | Identifier: | (3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18,21-dithia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name) |
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 | | TH2 | | Name: | TESTOSTERONE HEMISUCCINATE | | Formula: | C23 H32 O5 | | SMILES: | O=C(O)CCC(=O)OC2CCC1C4C(CCC12C)C3(C(=CC(=O)CC3)CC4)C | | InChi: | InChI=1S/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18-,19-,22-,23-/m0/s1 | | Synonyms: | 4-OXO-4-{[(8ALPHA,9BETA,10ALPHA,13ALPHA,14BETA,17ALPHA)-3-OXOANDROST-4-EN-17-YL]OXY}BUTANOIC ACID | | Definition date: | 2006-01-06 | | Last modified: | 2021-03-13 | | Identifier: | 4-oxo-4-{[(8alpha,10alpha,13alpha,14beta,17alpha)-3-oxoandrost-4-en-17-yl]oxy}butanoic acid |
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 | | 1QU | | Name: | 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide | | Formula: | C33 H37 F3 N4 O4 | | SMILES: | FC(F)(F)c1cccc(c1)CNCC(O)C(NC(=O)C2=CN(C(=O)C(=C2)N3C(=O)CCC3)C4CCCC4)Cc5ccccc5 | | InChi: | InChI=1S/C33H37F3N4O4/c34-33(35,36)25-11-6-10-23(16-25)19-37-20-29(41)27(17-22-8-2-1-3-9-22)38-31(43)24-18-28(39-15-7-14-30(39)42)32(44)40(21-24)26-12-4-5-13-26/h1-3,6,8-11,16,18,21,26-27,29,37,41H,4-5,7,12-15,17,19-20H2,(H,38,43)/t27-,29+/m0/s1 | | Synonyms: | N-((1S,2R)-1-benzyl-2-hydroxy-3-((3-trifluoromethyl)benzyl)amino)propyl)-1-cyclopentyl-6-oxo-5-(2-oxo-1-pyrrolidinyl)-1,6-dihydro-3-pyridinecarboxamide | | Definition date: | 2013-04-30 | | Last modified: | 2021-03-13 | | Release date: | 2013-07-10 | | Identifier: | 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide |
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 | | G2V | | Name: | 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline | | Formula: | C15 H17 N3 | | SMILES: | C1CN(c2c1cc(cc2)c4cn3c(CCC3)n4)C | | InChi: | InChI=1S/C15H17N3/c1-17-8-6-12-9-11(4-5-14(12)17)13-10-18-7-2-3-15(18)16-13/h4-5,9-10H,2-3,6-8H2,1H3 | | Synonyms: | 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole | | Definition date: | 2018-05-02 | | Last modified: | 2021-03-13 | | Release date: | 2018-09-05 | | Identifier: | 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole |
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 | | 1RC | | Name: | (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide | | Formula: | C18 H17 Cl N2 O4 | | SMILES: | Clc1cc(c(O)cc1O)C(=O)N3C(c2ccccc2C3)C(=O)NCC | | InChi: | InChI=1S/C18H17ClN2O4/c1-2-20-17(24)16-11-6-4-3-5-10(11)9-21(16)18(25)12-7-13(19)15(23)8-14(12)22/h3-8,16,22-23H,2,9H2,1H3,(H,20,24)/t16-/m1/s1 | | Synonyms: | (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide | | Definition date: | 2009-10-22 | | Last modified: | 2021-03-13 | | Identifier: | (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide |
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