 | | PB9 | | Name: | methyl 4-{[{(3S)-6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate | | Formula: | C28 H33 N7 O4 S | | SMILES: | O=C(OC)N1CCC(CC1)CN(C3Cc2c(ccc(C#N)c2)N(C3)Cc4cncn4C)S(=O)(=O)c5ncccc5 | | InChi: | InChI=1S/C28H33N7O4S/c1-32-20-30-16-25(32)19-34-18-24(14-23-13-22(15-29)6-7-26(23)34)35(40(37,38)27-5-3-4-10-31-27)17-21-8-11-33(12-9-21)28(36)39-2/h3-7,10,13,16,20-21,24H,8-9,11-12,14,17-19H2,1-2H3/t24-/m0/s1 | | Definition date: | 2007-10-30 | | Last modified: | 2011-06-04 | | Identifier: | methyl 4-{[{(3S)-6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate |
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 | | PBL | | Name: | pentane-2,2,4,4-tetrol | | Formula: | C5 H12 O4 | | SMILES: | OC(O)(C)CC(O)(O)C | | InChi: | InChI=1S/C5H12O4/c1-4(6,7)3-5(2,8)9/h6-9H,3H2,1-2H3 | | Definition date: | 2010-05-24 | | Last modified: | 2011-06-04 | | Identifier: | pentane-2,2,4,4-tetrol |
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 | | PBT | | Name: | [3-HYDROXY-5-(5-METHYL-2,4-DIOXOTETRAHYDRO-1(2H)-PYRIMIDINYL)TETRAHYDRO-2-FURANYL]METHYL DIHYDROGEN PHOSPHATE | | Formula: | C10 H17 N2 O8 P | | SMILES: | O=C1N(CC(C(=O)N1)C)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C10H17N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h5-8,13H,2-4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6+,7-,8-/m1/s1 | | Definition date: | 2001-10-04 | | Last modified: | 2011-06-04 | | Identifier: | 5'-thymidylic acid |
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 | | PC3 | | Name: | COPROPORPHYRIN I CONTAINING CO(III) | | Formula: | C36 H36 Co N4 O8 | | SMILES: | O=C(O)CCC1=C(C2=Cc4c(c(c3C=C5C(=C(C6=Cc8c(c(c7C=C1N2[Co](n34)(N56)n78)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C | | InChi: | InChI=1S/C36H36N4O8.Co/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29 | | Definition date: | 2003-06-23 | | Last modified: | 2011-06-04 | | Identifier: | [3,3',3'',3'''-(3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,7,12,17-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetrapropanoato(4-)]cobalt |
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 | | PC4 | | Name: | TETRACHLOROPLATINATE(II) | | Formula: | Cl4 Pt | | SMILES: | Cl[Pt-2](Cl)(Cl)Cl | | InChi: | InChI=1S/4ClH.Pt/h4*1H | | Definition date: | 2004-02-19 | | Last modified: | 2011-06-04 | | Identifier: | tetrachloroplatinate(2-) |
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 | | PCB | | Name: | 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL | | Formula: | C14 H10 Cl4 O4 S2 | | SMILES: | Clc2cc(c(Cl)cc2c1c(Cl)cc(c(Cl)c1)S(=O)(=O)C)S(=O)(=O)C | | InChi: | InChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2,2',5,5'-tetrachloro-4,4'-bis(methylsulfonyl)biphenyl |
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 | | PCG | | Name: | CYCLIC GUANOSINE MONOPHOSPHATE | | Formula: | C10 H12 N5 O7 P | | SMILES: | O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N | | InChi: | InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one |
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 | | PCQ | | Name: | 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL | | Formula: | C12 H6 Cl4 O2 | | SMILES: | Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2 | | InChi: | InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H | | Definition date: | 2000-11-03 | | Last modified: | 2011-06-04 | | Identifier: | 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol |
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 | | PCU | | Name: | CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRIN | | Formula: | C44 H36 Cu N8 | | SMILES: | c56C(=C1/C=CN(C=C1)C)c%11ccc%12C(=C2/C=CN(C=C2)C)/c%10ccc9C(=C3/C=CN(C=C3)C)/c8ccc7C(=C4/C=CN(C=C4)C)/c(cc5)n6[Cu](n78)(n9%10)n%11%12 | | InChi: | InChI=1S/C44H36N8.Cu/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | [5,10,15,20-tetrakis(1-methylpyridin-4(1H)-ylidene)-5,10,15,20,22,24-hexahydroporphyrinato(4-)-kappa~4~N~21~,N~22~,N~23~,N~24~]copper |
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 | | PG4 | | Name: | TETRAETHYLENE GLYCOL | | Formula: | C8 H18 O5 | | SMILES: | OCCOCCOCCOCCO | | InChi: | InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2 | | Definition date: | 1999-08-03 | | Last modified: | 2011-06-04 | | Identifier: | 2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol |
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 | | PG5 | | Name: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE | | Formula: | C8 H18 O4 | | SMILES: | O(C)CCOCCOCCOC | | InChi: | InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3 | | Definition date: | 1999-09-21 | | Last modified: | 2011-06-04 | | Identifier: | 2,5,8,11-tetraoxadodecane |
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 | | PGD | | Name: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE | | Formula: | C20 H24 N10 O13 P2 S2 | | SMILES: | O=C6N=C(N=C1C6=NC2C(S)=C(S)C(OC2N1)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c4N=C(N)NC3=O)C(O)C5O)N | | InChi: | InChI=1S/C20H24N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H3,21,25,26,28,33)/t4-,5-,6+,9-,10-,17-,18-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(R)-{[(R)-{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-5a,8,9a,10-tetrahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
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 | | PGF | | Name: | 2,5,8,11-TETRAOXATRIDECANE | | Formula: | C9 H20 O4 | | SMILES: | O(C)CCOCCOCCOCC | | InChi: | InChI=1S/C9H20O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3-9H2,1-2H3 | | Definition date: | 2006-05-15 | | Last modified: | 2011-06-04 | | Identifier: | 2,5,8,11-tetraoxatridecane |
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 | | PGI | | Name: | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | | Formula: | C16 H21 N2 O4 | | SMILES: | OCC2[n+]1cc(nc1C(O)C(O)C2O)CCc3ccccc3 | | InChi: | InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2/p+1/t12-,13-,14+,15-/m1/s1 | | Definition date: | 2006-02-10 | | Last modified: | 2011-06-04 | | Identifier: | (5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium |
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 | | PHR | | Name: | 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE | | Formula: | C16 H27 N4 O11 P | | SMILES: | O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCCCOP(=O)(O)O)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C16H27N4O11P/c21-8-10(23)12(24)9(22)7-20-13-11(14(25)18-15(26)17-13)19(16(20)27)5-3-1-2-4-6-31-32(28,29)30/h9-10,12,21-24H,1-8H2,(H2,28,29,30)(H2,17,18,25,26)/t9-,10-,12+/m1/s1 | | Definition date: | 2005-12-09 | | Last modified: | 2011-06-04 | | Identifier: | 1-deoxy-1-{2,6,8-trioxo-7-[6-(phosphonooxy)hexyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol |
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 | | BN6 | | Name: | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID | | Formula: | C35 H52 N6 O9 | | SMILES: | O=C(NC(C(O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)O)CC2CC2)N(NC(=O)C(NC(=O)OCC(C)C)C3CCCCC3)CC4CC4 | | InChi: | InChI=1S/C35H52N6O9/c1-21(2)20-50-35(49)39-28(24-9-5-3-6-10-24)31(44)40-41(19-23-15-16-23)34(48)37-26(17-22-13-14-22)30(43)32(45)36-18-27(42)38-29(33(46)47)25-11-7-4-8-12-25/h4,7-8,11-12,21-24,26,28-30,43H,3,5-6,9-10,13-20H2,1-2H3,(H,36,45)(H,37,48)(H,38,42)(H,39,49)(H,40,44)(H,46,47)/t26-,28-,29-,30+/m0/s1 | | Definition date: | 2007-01-02 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-({N-[(2R,3S,9S)-9-cyclohexyl-3,6-bis(cyclopropylmethyl)-2-hydroxy-14-methyl-5,8,11-trioxo-12-oxa-4,6,7,10-tetraazapentadecan-1-oyl]glycyl}amino)(phenyl)ethanoic acid |
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 | | BO4 | | Name: | BORATE ION | | Formula: | B H4 O4 | | SMILES: | O[B-](O)(O)O | | InChi: | InChI=1S/BH4O4/c2-1(3,4)5/h2-5H/q-1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | tetrahydroxyborate(1-) |
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 | | BON | | Name: | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide | | Formula: | C12 H19 B N2 O4 S | | SMILES: | O=S(=O)(N)Nc2ccc(B1OC(C)(C)C(O1)(C)C)cc2 | | InChi: | InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17) | | Definition date: | 2010-05-03 | | Last modified: | 2011-06-04 | | Identifier: | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfuric diamide |
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 | | 23G | | Name: | GUANOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE | | Formula: | C10 H13 N5 O10 P2 | | SMILES: | O=C4NC(=Nc1c4ncn1C2OC(C3OP(=O)(O)OC23)COP(=O)(O)O)N | | InChi: | InChI=1S/C10H13N5O10P2/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(24-27(20,21)25-6)3(23-9)1-22-26(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H2,17,18,19)(H3,11,13,14,16)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 2009-09-09 | | Last modified: | 2011-06-04 | | Identifier: | [(2S,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate |
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 | | BPA | | Name: | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | | Formula: | C20 H16 O3 | | SMILES: | OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O | | InChi: | InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19+,20+/m1/s1 | | Definition date: | 2001-06-18 | | Last modified: | 2011-06-04 | | Identifier: | (7S,8S,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol |
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 | | 25A | | Name: | 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE | | Formula: | C30 H38 N15 O19 P3 | | SMILES: | O=P(O)(O)OCC9OC(n1c2ncnc(N)c2nc1)C(OP(=O)(O)OCC8OC(n4cnc3c(ncnc34)N)C(OP(=O)(O)OCC7OC(n5c6ncnc(N)c6nc5)C(O)C7O)C8O)C9O | | InChi: | InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(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 | | Definition date: | 2004-05-23 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
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 | | BSI | | Name: | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | | Formula: | C22 H19 N O4 S | | SMILES: | O=S(=O)(c2ccc(c1ccccc1)cc2)N4C(C(=O)O)Cc3c(cccc3)C4 | | InChi: | InChI=1S/C22H19NO4S/c24-22(25)21-14-18-8-4-5-9-19(18)15-23(21)28(26,27)20-12-10-17(11-13-20)16-6-2-1-3-7-16/h1-13,21H,14-15H2,(H,24,25)/t21-/m1/s1 | | Definition date: | 1999-08-04 | | Last modified: | 2011-06-04 | | Identifier: | (3R)-2-(biphenyl-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
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 | | BSJ | | Name: | (3R,9Z)-17-[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | Formula: | C36 H62 N11 O23 P3 S | | SMILES: | O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)N=C/CSCCC(=O)NCC3OC(OC2C(O)C(O)C(N)CC2N)C(N)C(O)C3O)n4c5ncnc(N)c5nc4 | | InChi: | InChI=1S/C36H62N11O23P3S/c1-36(2,12-65-73(62,63)70-72(60,61)64-11-18-29(69-71(57,58)59)27(54)34(66-18)47-14-46-22-31(40)44-13-45-32(22)47)30(55)33(56)42-5-3-19(48)41-6-8-74-7-4-20(49)43-10-17-24(51)25(52)21(39)35(67-17)68-28-16(38)9-15(37)23(50)26(28)53/h6,13-18,21,23-30,34-35,50-55H,3-5,7-12,37-39H2,1-2H3,(H,42,56)(H,43,49)(H,60,61)(H,62,63)(H2,40,44,45)(H2,57,58,59)/b41-6-/t15-,16+,17-,18-,21-,23+,24-,25-,26-,27-,28-,29-,30+,34-,35-/m1/s1 | | Definition date: | 2007-09-14 | | Last modified: | 2011-06-04 | | Identifier: | (3R,9Z)-17-[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | 284 | | Name: | (4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine | | Formula: | C6 H12 N2 | | SMILES: | NC1=CC(C)CCN1 | | InChi: | InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h4-5,8H,2-3,7H2,1H3/t5-/m0/s1 | | Definition date: | 2007-10-24 | | Last modified: | 2011-06-04 | | Identifier: | (4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine |
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 | | BTT | | Name: | BENZENE-1,2,4,5-TETROL | | Formula: | C6 H6 O4 | | SMILES: | Oc1c(O)cc(O)c(O)c1 | | InChi: | InChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7-10H | | Definition date: | 2004-07-30 | | Last modified: | 2011-06-04 | | Identifier: | benzene-1,2,4,5-tetrol |
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