| 8AN | Name: | 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) | Formula: | C10 H15 N6 O6 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3N | InChi: | InChI=1S/C10H15N6O6P/c11-5-4(1-21-23(18,19)20)22-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1 | Definition date: | 2008-03-27 | Last modified: | 2011-06-04 | Identifier: | 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) |
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| 8AP | Name: | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | Formula: | C12 H13 N3 | SMILES: | n2cccc(NCc1ccccc1)c2N | InChi: | InChI=1S/C12H13N3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H2,13,14) | Definition date: | 2007-01-12 | Last modified: | 2011-06-04 | Identifier: | N~3~-benzylpyridine-2,3-diamine |
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| TGP | Name: | 5'-THIO-2'-DEOXY-GUANOSINE PHOSPHONIC ACID | Formula: | C10 H14 N5 O6 P S | SMILES: | O=P(O)(O)SCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O | InChi: | InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-23-22(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | Definition date: | 2001-12-05 | Last modified: | 2011-06-04 | Identifier: | 2'-deoxy-5'-S-phosphono-5'-thioguanosine |
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| TH0 | Name: | 4-MERCAPTOBENZENE-1,3-DIOL | Formula: | C6 H6 O2 S | SMILES: | Oc1ccc(S)c(O)c1 | InChi: | InChI=1S/C6H6O2S/c7-4-1-2-6(9)5(8)3-4/h1-3,7-9H | Definition date: | 2007-02-28 | Last modified: | 2011-06-04 | Identifier: | 4-sulfanylbenzene-1,3-diol |
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| TH4 | Name: | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide | Formula: | C10 H9 Cl N4 S | SMILES: | Clc1ncc(cc1)CN2C(=NC#N)SCC2 | InChi: | InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10- | Definition date: | 2008-02-11 | Last modified: | 2011-06-04 | Identifier: | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide |
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| TH8 | Name: | THIAMPHENICOL | Formula: | C12 H15 Cl2 N O5 S | SMILES: | ClC(Cl)C(=O)NC(C(O)c1ccc(cc1)S(=O)(=O)C)CO | InChi: | InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1 | Definition date: | 2008-08-28 | Last modified: | 2011-06-04 | Identifier: | 2,2-dichloro-N-{(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide |
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| THA | Name: | TACRINE | Formula: | C13 H14 N2 | SMILES: | n1c3c(c(c2c1cccc2)N)CCCC3 | InChi: | 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) | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 1,2,3,4-tetrahydroacridin-9-amine |
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| THF | Name: | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | Formula: | C20 H23 N7 O7 | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCC3C=NC=2NC(=NC(=O)C=2N3CO)N)CCC(=O)O | InChi: | InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,8,12-13,22,28H,5-7,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,25,26,32)/t12-,13-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | N-{[4-({[(6S)-2-amino-5-(hydroxymethyl)-4-oxo-1,4,5,6-tetrahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid |
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| THG | Name: | (6S)-5,6,7,8-TETRAHYDROFOLATE | Formula: | C19 H23 N7 O6 | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC=2C(=O)NC(=NC=2NC3)N)CCC(=O)O | InChi: | InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1 | Definition date: | 2002-02-26 | Last modified: | 2011-06-04 | Identifier: | N-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid |
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| THI | Name: | THIAZOLO-3-PHENYLISOINDOL-1-ONE | Formula: | C16 H13 N O S | SMILES: | O=C2c1c(cccc1)C3(SCCN23)c4ccccc4 | InChi: | InChI=1S/C16H13NOS/c18-15-13-8-4-5-9-14(13)16(17(15)10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2/t16-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (9bS)-9b-phenyl-2,3-dihydro[1,3]thiazolo[2,3-a]isoindol-5(9bH)-one |
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| 8BR | Name: | 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE | Formula: | C10 H13 Br N5 O7 P | SMILES: | Brc2nc1c(ncnc1n2C3OC(C(O)C3O)COP(=O)(O)O)N | InChi: | InChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 8-bromoadenosine 5'-(dihydrogen phosphate) |
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| THP | Name: | THYMIDINE-3',5'-DIPHOSPHATE | Formula: | C10 H16 N2 O11 P2 | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)COP(=O)(O)O | InChi: | InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | thymidine 3',5'-bis(dihydrogen phosphate) |
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| THS | Name: | THYMIDINE-5'-(DITHIO)PHOSPHATE | Formula: | C10 H15 N2 O6 P S2 | SMILES: | O=P(S)(S)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O | InChi: | InChI=1S/C10H15N2O6PS2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(18-8)4-17-19(16,20)21/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,20,21)/t6-,7+,8+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 5'-O-[(dithiophosphono)]thymidine |
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| THU | Name: | TETRAHYDRODEOXYURIDINE | Formula: | C9 H14 N2 O5 | SMILES: | O=C1N(CCC(=O)N1)C2OC(C(O)C2)CO | InChi: | InChI=1S/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8?/m0/s1 | Definition date: | 2001-08-24 | Last modified: | 2011-06-04 | Identifier: | 2'-deoxyuridine |
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| THZ | Name: | 1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine | Formula: | C13 H17 N5 O S | SMILES: | O=C(c1nc2ccccc2s1)C(N)CCCNC(=[N@H])N | InChi: | InChI=1S/C13H17N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8H,3-4,7,14H2,(H4,15,16,17)/t8-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine |
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| TI2 | Name: | (2-SULFANYL-3-PHENYLPROPANOYL)-PHE-TYR | Formula: | C27 H28 N2 O5 S | SMILES: | O=C(NC(C(=O)NC(C(=O)O)Cc1ccc(O)cc1)Cc2ccccc2)C(S)Cc3ccccc3 | InChi: | InChI=1S/C27H28N2O5S/c30-21-13-11-20(12-14-21)16-23(27(33)34)29-25(31)22(15-18-7-3-1-4-8-18)28-26(32)24(35)17-19-9-5-2-6-10-19/h1-14,22-24,30,35H,15-17H2,(H,28,32)(H,29,31)(H,33,34)/t22-,23-,24-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | N-[(2S)-3-phenyl-2-sulfanylpropanoyl]-L-phenylalanyl-L-tyrosine |
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| 8CA | Name: | 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid | Formula: | C20 H19 N O2 | SMILES: | O=C(O)c4c1c(c3c(n1Cc2ccccc2)CCCC3)ccc4 | InChi: | InChI=1S/C20H19NO2/c22-20(23)17-11-6-10-16-15-9-4-5-12-18(15)21(19(16)17)13-14-7-2-1-3-8-14/h1-3,6-8,10-11H,4-5,9,12-13H2,(H,22,23) | Definition date: | 2009-01-13 | Last modified: | 2011-06-04 | Identifier: | 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid |
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| 8CL | Name: | chlorobenzene | Formula: | C6 H5 Cl | SMILES: | Clc1ccccc1 | InChi: | InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H | Definition date: | 2009-02-16 | Last modified: | 2011-06-04 | Identifier: | chlorobenzene |
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| TIL | Name: | [2-[5-CARBOXYETHYL-2-PHENOLATO(NITRILOMETHYLIDYNE)][PHENOLATO]]CHROMIUM(III) | Formula: | C16 H13 Cr N O4 | SMILES: | OC(=O)CCc1ccc2N|3=Cc4ccccc4O[Cr+]|3Oc2c1 | InChi: | InChI=1S/C16H15NO4.Cr/c18-14-4-2-1-3-12(14)10-17-13-7-5-11(9-15(13)19)6-8-16(20)21 | Definition date: | 2007-08-10 | Last modified: | 2011-06-04 |
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| 8DA | Name: | 8-OXODEOXYADENOSINE | Formula: | C10 H15 N5 O4 | SMILES: | O=C2NC1=C(N)NCN=C1N2C3OC(C(O)C3)CO | InChi: | InChI=1S/C10H15N5O4/c11-8-7-9(13-3-12-8)15(10(18)14-7)6-1-4(17)5(2-16)19-6/h4-6,12,16-17H,1-3,11H2,(H,14,18)/t4-,5+,6+/m1/s1 | Definition date: | 2005-08-08 | Last modified: | 2011-06-04 | Identifier: | 6-amino-9-(2-deoxy-beta-L-erythro-pentofuranosyl)-1,2,7,9-tetrahydro-8H-purin-8-one |
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| 8DD | Name: | 8-oxo-7,8-dihydro-2'-deoxy-adenosine-5'-diphosphate | Formula: | C10 H15 N5 O10 P2 | SMILES: | Nc1ncnc2N([CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O3)C(=O)Nc12 | InChi: | InChI=1S/C10H15N5O10P2/c11-8-7-9(13-3-12-8)15(10(17)14-7)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,14,17)(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,5+,6+/m0/s1 | Definition date: | 2010-01-09 | Last modified: | 2011-06-04 | Identifier: | [(2R,3S,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate |
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| 8DG | Name: | 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE | Formula: | C10 H16 N5 O14 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)CC3O | InChi: | InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1 | Definition date: | 2004-12-16 | Last modified: | 2011-06-04 | Identifier: | 2'-deoxy-8-oxoguanosine 5'-(tetrahydrogen triphosphate) |
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| TK1 | Name: | 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione | Formula: | C24 H20 N4 O5 S | SMILES: | O=S(=O)(c5ccc(Oc3c(cc1c(nc(n1)c2ncccc2)c3)CN4C(=O)CCC4=O)cc5)C | InChi: | InChI=1S/C24H20N4O5S/c1-34(31,32)17-7-5-16(6-8-17)33-21-13-20-19(26-24(27-20)18-4-2-3-11-25-18)12-15(21)14-28-22(29)9-10-23(28)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,27) | Definition date: | 2009-04-21 | Last modified: | 2011-06-04 | Identifier: | 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione |
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| 8FG | Name: | N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)-2-ACETYLAMINOFLUORENE | Formula: | C25 H25 N6 O8 P | SMILES: | O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O)N(c6ccc5c4ccccc4Cc5c6)C(=O)C | InChi: | InChI=1S/C25H25N6O8P/c1-12(32)30(15-6-7-17-14(9-15)8-13-4-2-3-5-16(13)17)25-27-21-22(28-24(26)29-23(21)34)31(25)20-10-18(33)19(39-20)11-38-40(35,36)37/h2-7,9,18-20,33H,8,10-11H2,1H3,(H2,35,36,37)(H3,26,28,29,34)/t18-,19+,20+/m0/s1 | Definition date: | 2004-09-15 | Last modified: | 2011-06-04 | Identifier: | 8-[acetyl(9H-fluoren-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate) |
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| TLA | Name: | L(+)-TARTARIC ACID | Formula: | C4 H6 O6 | SMILES: | O=C(O)C(O)C(O)C(=O)O | InChi: | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 | Definition date: | 2002-01-22 | Last modified: | 2011-06-04 | Identifier: | (2R,3R)-2,3-dihydroxybutanedioic acid |
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