 | | ANI | | Name: | 4-(trifluoromethyl)aniline | | Formula: | C7 H6 F3 N | | SMILES: | FC(F)(F)c1ccc(N)cc1 | | InChi: | InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-(trifluoromethyl)aniline |
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 | | ANJ | | Name: | (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-2-HYDROXYBENZOYL]AMINO}-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL (2S)-2-METHYLBUTANOATE | | Formula: | C28 H40 N2 O9 | | SMILES: | O=CNc1cccc(c1O)C(=O)NC2C(=O)OC(C(OC(=O)C(C)CC)C(C(=O)OC2C)CCCCCC)C | | InChi: | InChI=1S/C28H40N2O9/c1-6-8-9-10-12-20-24(39-26(34)16(3)7-2)18(5)38-28(36)22(17(4)37-27(20)35)30-25(33)19-13-11-14-21(23(19)32)29-15-31/h11,13-18,20,22,24,32H,6-10,12H2,1-5H3,(H,29,31)(H,30,33)/t16-,17+,18-,20+,22-,24-/m0/s1 | | Definition date: | 2006-03-02 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S,6S,7R,8R)-3-({[3-(formylamino)-2-hydroxyphenyl]carbonyl}amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl (2S)-2-methylbutanoate (non-preferred name) |
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 | | TE6 | | Name: | Orthotelluric acid | | Formula: | H6 O6 Te | | SMILES: | O[Te](O)(O)(O)(O)O | | InChi: | InChI=1S/H6O6Te/c1-7(2,3,4,5)6/h1-6H | | Definition date: | 2010-02-25 | | Last modified: | 2011-06-04 |
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 | | ANL | | Name: | ANILINE | | Formula: | C6 H7 N | | SMILES: | Nc1ccccc1 | | InChi: | InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | aniline |
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 | | ANM | | Name: | ANISOMYCIN | | Formula: | C14 H19 N O4 | | SMILES: | O=C(OC1C(NCC1O)Cc2ccc(OC)cc2)C | | InChi: | InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1 | | Definition date: | 2001-10-30 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S,4S)-4-hydroxy-2-(4-methoxybenzyl)pyrrolidin-3-yl acetate |
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 | | ANP | | Name: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Formula: | C10 H17 N6 O12 P3 | | SMILES: | O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]adenosine |
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 | | ANQ | | Name: | ACENAPHTHENEQUINONE | | Formula: | C12 H6 O2 | | SMILES: | O=C3c2cccc1cccc(c12)C3=O | | InChi: | InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H | | Definition date: | 2003-01-21 | | Last modified: | 2011-06-04 | | Identifier: | acenaphthylene-1,2-dione |
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 | | TED | | Name: | 5-[(1E)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate) | | Formula: | C24 H35 N6 O16 P | | SMILES: | O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)NCCNC(=O)C=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C24H35N6O16P/c31-15-7-19(46-16(15)13-45-47(42,43)44)30-8-14(23(40)27-24(30)41)1-2-17(32)25-3-4-26-18(33)9-28(10-20(34)35)5-6-29(11-21(36)37)12-22(38)39/h1-2,8,15-16,19,31H,3-7,9-13H2,(H,25,32)(H,26,33)(H,34,35)(H,36,37)(H,38,39)(H,27,40,41)(H2,42,43,44)/b2-1+/t15-,16+,19+/m0/s1 | | Definition date: | 2010-07-22 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(13E)-1-carboxy-2,5-bis(carboxymethyl)-7,12-dioxo-2,5,8,11-tetraazatetradec-13-en-14-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate) |
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 | | ANX | | Name: | 2,5-DINITROPHENOL | | Formula: | C6 H4 N2 O5 | | SMILES: | O=[N+]([O-])c1ccc(cc1O)[N+]([O-])=O | | InChi: | InChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H | | Definition date: | 2006-10-19 | | Last modified: | 2011-06-04 | | Identifier: | 2,5-dinitrophenol |
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 | | ANZ | | Name: | [(6-AMINO-9H-PURIN-9-YL)-[5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROLE]-4'YL]METHYL DIHYDROGEN PHOSPHATE | | Formula: | C17 H17 B F N5 O8 P | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[B-]5(OCc6cc(F)ccc56)O[CH]34 | | InChi: | InChI=1S/C17H17BFN5O8P/c19-9-1-2-10-8(3-9)4-28-18(10)31-13-11(5-29-33(25,26)27)30-17(14(13)32-18)24-7-23-12-15(20)21-6-22-16(12)24/h1-3,6-7,11,13-14,17H,4-5H2,(H2,20,21,22)(H2,25,26,27)/q-1/t11-,13-,14-,17-,18+/m1/s1 | | Definition date: | 2007-05-14 | | Last modified: | 2011-06-04 | | Identifier: | [(1S,3S,5R,6R,8R)-6-(6-aminopurin-9-yl)-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate |
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 | | TEM | | Name: | N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE | | Formula: | C7 H11 N O3 | | SMILES: | O=CC=CNCC(O)CC=O | | InChi: | InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-5,7-8,11H,2,6H2/b3-1+/t7-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3R)-3-hydroxy-4-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanal |
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 | | AO5 | | Name: | N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE | | Formula: | C15 H22 Cl N3 O3 S | | SMILES: | O=C(c1cc(Cl)ccc1)NNC(=O)C(O)C(N)CCSC(C)C | | InChi: | InChI=1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1 | | Definition date: | 2003-11-10 | | Last modified: | 2011-06-04 | | Identifier: | 3-amino-1-{2-[(3-chlorophenyl)carbonyl]hydrazino}-3,4-dideoxy-5-S-(1-methylethyl)-5-thio-D-threo-pentose |
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 | | AO9 | | Name: | 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine | | Formula: | C15 H16 N6 O5 S | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)c3cnc4sccn34 | | InChi: | InChI=1S/C15H16N6O5S/c16-9-1-2-21(14(25)19-9)13-11(23)10(22)8(26-13)6-17-12(24)7-5-18-15-20(7)3-4-27-15/h1-5,8,10-11,13,22-23H,6H2,(H,17,24)(H2,16,19,25)/t8-,10-,11-,13-/m1/s1 | | Definition date: | 2011-01-07 | | Last modified: | 2011-06-04 | | Identifier: | 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine |
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 | | AOA | | Name: | (AMINOOXY)ACETIC ACID | | Formula: | C2 H5 N O3 | | SMILES: | O=C(O)CON | | InChi: | InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5) | | Definition date: | 2002-06-17 | | Last modified: | 2011-06-04 | | Identifier: | (aminooxy)acetic acid |
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 | | TF3 | | Name: | N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | | Formula: | C20 H25 Cl N2 O2 | | SMILES: | Clc2cc(ccc2OCc1ccc(cc1)C(C)C)CC(=O)NCCN | | InChi: | InChI=1S/C20H25ClN2O2/c1-14(2)17-6-3-15(4-7-17)13-25-19-8-5-16(11-18(19)21)12-20(24)23-10-9-22/h3-8,11,14H,9-10,12-13,22H2,1-2H3,(H,23,24) | | Definition date: | 2005-06-08 | | Last modified: | 2011-06-04 | | Identifier: | N-(2-aminoethyl)-2-(3-chloro-4-{[4-(1-methylethyl)benzyl]oxy}phenyl)acetamide |
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 | | TF4 | | Name: | DICHLORO-ACETIC ACID | | Formula: | C2 H2 Cl2 O2 | | SMILES: | ClC(Cl)C(=O)O | | InChi: | InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) | | Definition date: | 2005-06-08 | | Last modified: | 2011-06-04 | | Identifier: | dichloroacetic acid |
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 | | TF5 | | Name: | 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL | | Formula: | C14 H11 F3 O2 | | SMILES: | Fc2ccc(c1ccccc1OCCO)c(F)c2F | | InChi: | InChI=1S/C14H11F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-6,18H,7-8H2 | | Definition date: | 2007-02-15 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(2',3',4'-trifluorobiphenyl-2-yl)oxy]ethanol |
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 | | 898 | | Name: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE | | Formula: | C20 H23 Cl F N3 O3 S2 | | SMILES: | Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(c1ccc(cc1F)C(N(C)C)C)CC2)cc3 | | InChi: | InChI=1S/C20H23ClFN3O3S2/c1-13(24(2)3)14-4-6-18(16(22)12-14)25-10-8-17(20(25)26)23-30(27,28)11-9-15-5-7-19(21)29-15/h4-7,9,11-13,17,23H,8,10H2,1-3H3/b11-9+/t13-,17-/m0/s1 | | Definition date: | 2009-11-16 | | Last modified: | 2011-06-04 | | Identifier: | (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-{4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide |
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 | | TFE | | Name: | 2'-O-[2-(TRIFLUORO)ETHYL] THYMIDINE-5'-MONOPHOSPHATE | | Formula: | C12 H16 F3 N2 O9 P | | SMILES: | FC(F)(F)COC2C(O)C(OC2N1C(=O)NC(=O)C(=C1)C)COP(=O)(O)O | | InChi: | InChI=1S/C12H16F3N2O9P/c1-5-2-17(11(20)16-9(5)19)10-8(24-4-12(13,14)15)7(18)6(26-10)3-25-27(21,22)23/h2,6-8,10,18H,3-4H2,1H3,(H,16,19,20)(H2,21,22,23)/t6-,7-,8-,10-/m1/s1 | | Definition date: | 2004-12-17 | | Last modified: | 2011-06-04 | | Identifier: | 5-methyl-2'-O-(2,2,2-trifluoroethyl)uridine 5'-(dihydrogen phosphate) |
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 | | TFF | | Name: | 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine | | Formula: | C12 H17 F4 N2 O12 P3 | | SMILES: | CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)C(F)(F)[P](O)(=O)C(F)(F)[P](O)(O)=O)O2)C(=O)NC1=O | | InChi: | InChI=1S/C12H17F4N2O12P3/c1-5-3-18(10(21)17-9(5)20)8-2-6(19)7(30-8)4-29-33(27,28)12(15,16)31(22,23)11(13,14)32(24,25)26/h3,6-8,19H,2,4H2,1H3,(H,22,23)(H,27,28)(H,17,20,21)(H2,24,25,26)/t6-,7+,8+/m0/s1 | | Definition date: | 2010-02-04 | | Last modified: | 2011-06-04 | | Identifier: | [[[difluoro-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]methyl]-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid |
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 | | 89I | | Name: | 5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE | | Formula: | C23 H24 N6 O | | SMILES: | n3cc(C#Cc2ncnc(N)c2c1ccc(N(C)C)cc1)ccc3N4CCOCC4 | | InChi: | InChI=1S/C23H24N6O/c1-28(2)19-7-5-18(6-8-19)22-20(26-16-27-23(22)24)9-3-17-4-10-21(25-15-17)29-11-13-30-14-12-29/h4-8,10,15-16H,11-14H2,1-2H3,(H2,24,26,27) | | Definition date: | 2006-08-30 | | Last modified: | 2011-06-04 | | Identifier: | 5-[4-(dimethylamino)phenyl]-6-[(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine |
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 | | TFG | | Name: | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL | | Formula: | C19 H16 F3 N3 O3 S | | SMILES: | O=C(c1sc(cc1)C(O)(O)C(F)(F)F)N4Cc3ncc(c2ccccc2)n3CC4 | | InChi: | InChI=1S/C19H16F3N3O3S/c20-19(21,22)18(27,28)15-7-6-14(29-15)17(26)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10,27-28H,8-9,11H2 | | Definition date: | 2008-03-17 | | Last modified: | 2011-06-04 | | Identifier: | 2,2,2-trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophen-2-yl}ethane-1,1-diol |
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 | | TFQ | | Name: | 4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE | | Formula: | C11 H12 F3 N O2 | | SMILES: | FC(F)(F)Cc1ccc(cc1)CC(C(=O)O)N | | InChi: | InChI=1S/C11H12F3NO2/c12-11(13,14)6-8-3-1-7(2-4-8)5-9(15)10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m0/s1 | | Definition date: | 2007-05-31 | | Last modified: | 2011-06-04 | | Identifier: | 4-(2,2,2-trifluoroethyl)-L-phenylalanine |
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 | | TFZ | | Name: | N-phenyl-2-(trifluoromethyl)benzamide | | Formula: | C14 H10 F3 N O | | SMILES: | FC(F)(F)c1ccccc1C(=O)Nc2ccccc2 | | InChi: | InChI=1S/C14H10F3NO/c15-14(16,17)12-9-5-4-8-11(12)13(19)18-10-6-2-1-3-7-10/h1-9H,(H,18,19) | | Definition date: | 2010-02-10 | | Last modified: | 2011-06-04 | | Identifier: | N-phenyl-2-(trifluoromethyl)benzamide |
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 | | 8AD | | Name: | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE | | Formula: | C20 H24 N4 O | | SMILES: | O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCCCN(C)C | | InChi: | InChI=1S/C20H24N4O/c1-24(2)13-6-5-12-22-20(25)16-10-7-9-15-18(21)14-8-3-4-11-17(14)23-19(15)16/h3-4,7-11H,5-6,12-13H2,1-2H3,(H2,21,23)(H,22,25) | | Definition date: | 2000-08-21 | | Last modified: | 2011-06-04 | | Identifier: | 9-amino-N-[4-(dimethylamino)butyl]acridine-4-carboxamide |
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