 | | TDS | | Name: | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE | | Formula: | C25 H38 O5 | | SMILES: | O=C1c2c(OC(=C1C)CCCCCCCCCCCCC)c(O)c(OC)cc2OC | | InChi: | InChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-18(2)23(26)22-20(28-3)17-21(29-4)24(27)25(22)30-19/h17,27H,5-16H2,1-4H3 | | Synonyms: | TRIDECYL-STIGMATELLIN | | Definition date: | 2003-10-02 | | Last modified: | 2021-03-01 | | Identifier: | 8-hydroxy-5,7-dimethoxy-3-methyl-2-tridecyl-4H-chromen-4-one |
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 | | TDZ | | Name: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE | | Formula: | C24 H27 N O5 S | | SMILES: | O=C1NC(=O)SC1Cc4ccc(OCC3(Oc2c(c(c(O)c(c2CC3)C)C)C)C)cc4 | | InChi: | InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24-/m1/s1 | | Synonyms: | TROGLITAZONE | | Definition date: | 2007-07-20 | | Last modified: | 2021-03-01 | | Identifier: | (5R)-5-(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione |
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 | | TE4 | | Name: | Tetracaine | | Formula: | C15 H24 N2 O2 | | SMILES: | O=C(OCCN(C)C)c1ccc(NCCCC)cc1 | | InChi: | InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3 | | Synonyms: | 2-(dimethylamino)ethyl 4-(butylamino)benzoate | | Definition date: | 2014-02-11 | | Last modified: | 2021-03-01 | | Release date: | 2014-11-19 | | Identifier: | 2-(dimethylamino)ethyl 4-(butylamino)benzoate |
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 | | TEF | | Name: | 4-(2H-tetrazol-2-yl)-L-phenylalanine | | Formula: | C10 H11 N5 O2 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)n2ncnn2 | | InChi: | InChI=1S/C10H11N5O2/c11-9(10(16)17)5-7-1-3-8(4-2-7)15-13-6-12-14-15/h1-4,6,9H,5,11H2,(H,16,17)/t9-/m0/s1 | | Synonyms: | p-(2-tetrazolyl)-phenylalanine | | Definition date: | 2010-06-03 | | Last modified: | 2021-03-01 | | Identifier: | 4-(2H-tetrazol-2-yl)-L-phenylalanine |
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 | | TEX | | Name: | (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one | | Formula: | C27 H39 N3 O2 | | SMILES: | c1cc(c3c2c1N(C)C(C(=O)NC(Cc2cn3)CO)C(C)C)C(C)([C@H]=C)CCC=C(/C)C | | InChi: | InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25-,27-/m0/s1 | | Synonyms: | Teleocidin A 1 | | Definition date: | 2016-03-31 | | Last modified: | 2021-03-01 | | Release date: | 2016-09-28 | | Identifier: | (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one |
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 | | 485 | | Name: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID | | Formula: | C17 H24 N2 O8 | | SMILES: | O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C2OC(C(O)C(O)C2O)C | | InChi: | InChI=1S/C17H24N2O8/c1-7-12(21)13(22)14(23)15(27-7)11(17(25)26)19-16(24)10(18)6-8-2-4-9(20)5-3-8/h2-5,7,10-15,20-23H,6,18H2,1H3,(H,19,24)(H,25,26)/t7-,10+,11+,12+,13+,14-,15+/m1/s1 | | Synonyms: | SB-284485 | | Definition date: | 2001-07-05 | | Last modified: | 2021-03-01 | | Identifier: | 3,7-anhydro-2,8-dideoxy-2-(L-tyrosylamino)-D-threo-L-galacto-octonic acid |
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 | | TFO | | Name: | [2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACID | | Formula: | C9 H14 N5 O4 P | | SMILES: | O=P(O)(O)COC(C)Cn1c2ncnc(c2nc1)N | | InChi: | InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1 | | Synonyms: | TENOFOVIR | | Definition date: | 2004-04-21 | | Last modified: | 2021-03-01 | | Identifier: | {[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl}phosphonic acid |
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 | | TFX | | Name: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium | | Formula: | C17 H19 N2 S | | SMILES: | s2c1cc(ccc1[n+](c2c3ccc(N(C)C)cc3)C)C | | InChi: | InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1 | | Synonyms: | Thioflavin T | | Definition date: | 2010-05-12 | | Last modified: | 2021-03-01 | | Identifier: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium |
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 | | 48U | | Name: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide | | Formula: | C19 H19 Cl F N3 O4 S2 | | SMILES: | Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(c1ccc(C(=O)N(C)C)cc1F)CC2)cc3 | | InChi: | InChI=1S/C19H19ClFN3O4S2/c1-23(2)18(25)12-3-5-16(14(21)11-12)24-9-7-15(19(24)26)22-30(27,28)10-8-13-4-6-17(20)29-13/h3-6,8,10-11,15,22H,7,9H2,1-2H3/b10-8+/t15-/m0/s1 | | Synonyms: | GTC000101 | | Definition date: | 2015-02-13 | | Last modified: | 2021-03-01 | | Release date: | 2015-09-30 | | Identifier: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide |
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 | | TGL | | Name: | TRISTEAROYLGLYCEROL | | Formula: | C57 H110 O6 | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3 | | Synonyms: | TRIACYLGLYCEROL | | Definition date: | 2003-12-02 | | Last modified: | 2021-03-01 | | Identifier: | propane-1,2,3-triyl trioctadecanoate |
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 | | 52W | | Name: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | | Formula: | C29 H40 N2 O9 S | | SMILES: | N(CC(C)C)(S(c1ccc(OC)cc1)(=O)=O)CC(C(Cc2ccccc2)NC(OC4C3C(COC3OCC4)O)=O)O | | InChi: | InChI=1S/C29H40N2O9S/c1-19(2)16-31(41(35,36)22-11-9-21(37-3)10-12-22)17-24(32)23(15-20-7-5-4-6-8-20)30-29(34)40-26-13-14-38-28-27(26)25(33)18-39-28/h4-12,19,23-28,32-33H,13-18H2,1-3H3,(H,30,34)/t23-,24+,25-,26-,27-,28-/m0/s1 | | Synonyms: | GRL-015 | | Definition date: | 2015-07-20 | | Last modified: | 2021-03-01 | | Release date: | 2016-01-13 | | Identifier: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate |
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 | | 53U | | Name: | D-phenylalanyl-N-benzyl-L-prolinamide | | Formula: | C21 H25 N3 O2 | | SMILES: | O=C(NCc1ccccc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3 | | InChi: | InChI=1S/C21H25N3O2/c22-18(14-16-8-3-1-4-9-16)21(26)24-13-7-12-19(24)20(25)23-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)/t18-,19+/m1/s1 | | Synonyms: | (2S)-1-((2R)-2-amino-3-phenyl-propanoyl)-N-(phenylmethyl)pyrrolidine-2-carboxamide | | Definition date: | 2008-01-08 | | Last modified: | 2021-03-01 | | Identifier: | D-phenylalanyl-N-benzyl-L-prolinamide |
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 | | 545 | | Name: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER | | Formula: | C21 H33 N3 O9 | | SMILES: | O=C(OCCCC)C(NC(=O)C(N)Cc1ccc(O)cc1)C2N(O)CC(O)C(O)(C2O)CO | | InChi: | InChI=1S/C21H33N3O9/c1-2-3-8-33-20(30)16(17-18(28)21(31,11-25)15(27)10-24(17)32)23-19(29)14(22)9-12-4-6-13(26)7-5-12/h4-7,14-18,25-28,31-32H,2-3,8-11,22H2,1H3,(H,23,29)/t14-,15-,16-,17-,18-,21-/m0/s1 | | Synonyms: | SB-243545 | | Definition date: | 2001-07-05 | | Last modified: | 2021-03-01 | | Identifier: | butyl (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)ethanoate |
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 | | TI3 | | Name: | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-GLY-(5-PHENYLPROLINE) | | Formula: | C22 H24 N2 O4 S | | SMILES: | O=C(N2C(C(=O)O)CCC2c1ccccc1)CNC(=O)C(S)Cc3ccccc3 | | InChi: | InChI=1S/C22H24N2O4S/c25-20(14-23-21(26)19(29)13-15-7-3-1-4-8-15)24-17(11-12-18(24)22(27)28)16-9-5-2-6-10-16/h1-10,17-19,29H,11-14H2,(H,23,26)(H,27,28)/t17-,18+,19+/m1/s1 | | Synonyms: | RB106 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S)-3-phenyl-2-sulfanylpropanoyl]glycyl-(5R)-5-phenyl-L-proline |
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 | | 54H | | Name: | 5'-O-(D-valylsulfamoyl)adenosine | | Formula: | C15 H23 N7 O7 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(C)C | | InChi: | InChI=1S/C15H23N7O7S/c1-6(2)8(16)14(25)21-30(26,27)28-3-7-10(23)11(24)15(29-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-8,10-11,15,23-24H,3,16H2,1-2H3,(H,21,25)(H2,17,18,19)/t7-,8-,10-,11-,15-/m1/s1 | | Synonyms: | 5'-O-(3-Methyl-2-aminobutyrylsulfamoyl) adenosine | | Definition date: | 2008-04-01 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-(D-valylsulfamoyl)adenosine |
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 | | 54K | | Name: | 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine | | Formula: | C7 H8 N4 | | SMILES: | n1c(c2c(c(c1)C)ncn2)N | | InChi: | InChI=1S/C7H8N4/c1-4-2-9-7(8)6-5(4)10-3-11-6/h2-3H,1H3,(H2,8,9)(H,10,11) | | Synonyms: | 3-deaza-3-methyladenine | | Definition date: | 2015-07-23 | | Last modified: | 2021-03-01 | | Release date: | 2015-10-28 | | Identifier: | 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine |
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 | | TIM | | Name: | (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol | | Formula: | C13 H24 N4 O3 S | | SMILES: | OC(COc1nsnc1N2CCOCC2)CNC(C)(C)C | | InChi: | InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 | | Synonyms: | Timolol maleate | | Definition date: | 2008-05-22 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol |
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 | | TIO | | Name: | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE | | Formula: | C12 H15 N O3 S | | SMILES: | O=C(O)CNC(=O)C(CS)Cc1ccccc1 | | InChi: | InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1 | | Synonyms: | THIORPHAN | | Definition date: | 1999-12-20 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S)-2-benzyl-3-sulfanylpropanoyl]glycine |
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 | | TIV | | Name: | (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione | | Formula: | C23 H19 N3 O2 | | SMILES: | O=C1NC(=O)[CH]([CH]1c2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56 | | InChi: | InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1 | | Synonyms: | Tivantinib | | Definition date: | 2015-10-20 | | Last modified: | 2021-03-01 | | Release date: | 2015-11-04 |
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 | | TIZ | | Name: | (1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL | | Formula: | C9 H12 N2 O5 S | | SMILES: | O=C(c1nc(sc1)C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1 | | Synonyms: | TIAZOFURIN | | Definition date: | 2007-03-08 | | Last modified: | 2021-03-01 | | Identifier: | (1R)-1,4-anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-D-ribitol |
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 | | 55C | | Name: | 2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid | | Formula: | C21 H17 N O3 | | SMILES: | c31ccccc1cc(C(=CC(Nc2ccccc2C(O)=O)=O)C)cc3 | | InChi: | InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+ | | Synonyms: | BIBR 1532 | | Definition date: | 2015-07-27 | | Last modified: | 2021-03-01 | | Release date: | 2015-09-09 | | Identifier: | 2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid |
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 | | 55Q | | Name: | (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid | | Formula: | C38 H57 N5 O7 S | | SMILES: | N1(CCCCC1C(=O)NC(C(N(C(C(C)C)CC(OC(C)=O)c3nc(C(=O)NC(CC(C(=O)O)C)Cc2ccccc2)cs3)C)=O)C(CC)C)C | | InChi: | InChI=1S/C38H57N5O7S/c1-9-24(4)33(41-35(46)30-17-13-14-18-42(30)7)37(47)43(8)31(23(2)3)21-32(50-26(6)44)36-40-29(22-51-36)34(45)39-28(19-25(5)38(48)49)20-27-15-11-10-12-16-27/h10-12,15-16,22-25,28,30-33H,9,13-14,17-21H2,1-8H3,(H,39,45)(H,41,46)(H,48,49)/t24-,25-,28-,30+,31-,32-,33-/m1/s1 | | Synonyms: | Tubulysin M | | Definition date: | 2015-07-30 | | Last modified: | 2021-03-01 | | Release date: | 2016-07-27 | | Identifier: | (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid |
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 | | 564 | | Name: | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID | | Formula: | C26 H26 O3 | | SMILES: | O=C(O)c2ccc1cc(ccc1c2)C(=O)c3ccc4c(c3)C(CCC4(C)C)(C)C | | InChi: | InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29) | | Synonyms: | CD564 | | Definition date: | 2000-08-08 | | Last modified: | 2021-03-01 | | Identifier: | 6-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]naphthalene-2-carboxylic acid |
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 | | TKT | | Name: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE | | Formula: | C17 H20 N2 O2 | | SMILES: | O=C(OC2CC1N(C)C(CC1)C2)c4c3ccccc3nc4 | | InChi: | InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+ | | Synonyms: | TROPISETRON | | Definition date: | 2009-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate |
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 | | TLF | | Name: | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid | | Formula: | C14 H12 Cl N O2 | | SMILES: | Clc2cccc(Nc1ccccc1C(=O)O)c2C | | InChi: | InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18) | | Synonyms: | Tolfenamic acid | | Definition date: | 2012-08-16 | | Last modified: | 2021-03-01 | | Release date: | 2012-08-24 | | Identifier: | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid |
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