 | | BAK | | Name: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | | Formula: | C17 H16 N8 O | | SMILES: | O=C(c2nc1ccc(cc1n2)C(=[NH2+])N)c3nc4ccc(C(=[NH2+])N)cc4n3 | | InChi: | InChI=1S/C17H14N8O/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2 | | Definition date: | 1999-07-28 | | Last modified: | 2011-06-04 | | Identifier: | [carbonylbis(1H-benzimidazole-2,6-diyl)]bis(aminomethaniminium) |
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 | | BAN | | Name: | HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE | | Formula: | C21 H23 N5 O7 | | SMILES: | O=C(Nc1ccc(cc1)[N+]([O-])=O)CNC(=O)C(NC(=O)C(C(=O)NO)Cc2ccccc2)C | | InChi: | InChI=1S/C21H23N5O7/c1-13(23-20(29)17(21(30)25-31)11-14-5-3-2-4-6-14)19(28)22-12-18(27)24-15-7-9-16(10-8-15)26(32)33/h2-10,13,17,31H,11-12H2,1H3,(H,22,28)(H,23,29)(H,24,27)(H,25,30)/t13-,17-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2S)-2-benzyl-3-(hydroxyamino)-3-oxopropanoyl]-L-alanyl-N-(4-nitrophenyl)glycinamide |
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 | | BAO | | Name: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | | Formula: | C17 H14 N8 O | | SMILES: | O=C(c2nc1ccc(cc1n2)C(=[N@H])N)c3nc4ccc(C(=[N@H])N)cc4n3 | | InChi: | InChI=1S/C17H14N8O/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2,2'-carbonylbis(1H-benzimidazole-6-carboximidamide) |
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 | | BAP | | Name: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[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: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol |
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 | | BAU | | Name: | 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE | | Formula: | C14 H16 N2 O4 | | SMILES: | O=C1C(=CN(C(=O)N1)COCCO)Cc2ccccc2 | | InChi: | InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19) | | Definition date: | 2004-08-09 | | Last modified: | 2011-06-04 | | Identifier: | 5-benzyl-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione |
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 | | BB3 | | Name: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE | | Formula: | C19 H17 Br2 N O5 S | | SMILES: | Brc1cc(cc(Br)c1O)C(=O)c2c3ccc(cc3oc2CC)S(=O)(=O)N(C)C | | InChi: | InChI=1S/C19H17Br2NO5S/c1-4-15-17(18(23)10-7-13(20)19(24)14(21)8-10)12-6-5-11(9-16(12)27-15)28(25,26)22(2)3/h5-9,24H,4H2,1-3H3 | | Definition date: | 2004-04-29 | | Last modified: | 2011-06-04 | | Identifier: | 3-[(3,5-dibromo-4-hydroxyphenyl)carbonyl]-2-ethyl-N,N-dimethyl-1-benzofuran-6-sulfonamide |
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 | | BB4 | | Name: | 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide | | Formula: | C10 H9 Br N2 O2 | | SMILES: | Brc1cc2c(cc1)ncc2CC(=O)NO | | InChi: | InChI=1S/C10H9BrN2O2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(14)13-15/h1-2,4-5,12,15H,3H2,(H,13,14) | | Definition date: | 2010-08-09 | | Last modified: | 2011-06-04 | | Identifier: | 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide |
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 | | BBB | | Name: | 1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-2,4(1H,3H)-DIONE | | Formula: | C21 H22 N2 O6 | | SMILES: | O=C1C(=C(O)N(C(=O)N1)COCCO)Cc3cccc(OCc2ccccc2)c3 | | InChi: | InChI=1S/C21H22N2O6/c24-9-10-28-14-23-20(26)18(19(25)22-21(23)27)12-16-7-4-8-17(11-16)29-13-15-5-2-1-3-6-15/h1-8,11,24,26H,9-10,12-14H2,(H,22,25,27) | | Definition date: | 2004-08-10 | | Last modified: | 2011-06-04 | | Identifier: | 5-[3-(benzyloxy)benzyl]-6-hydroxy-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione |
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 | | BBM | | Name: | 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE | | Formula: | C16 H13 Br F3 I N2 O4 | | SMILES: | Fc1c(c(cc(Br)c1F)C(=O)NOCC(O)CO)Nc2ccc(I)cc2F | | InChi: | InChI=1S/C16H13BrF3IN2O4/c17-10-4-9(16(26)23-27-6-8(25)5-24)15(14(20)13(10)19)22-12-2-1-7(21)3-11(12)18/h1-4,8,22,24-25H,5-6H2,(H,23,26)/t8-/m0/s1 | | Definition date: | 2004-02-10 | | Last modified: | 2011-06-04 | | Identifier: | 5-bromo-N-{[(2S)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide |
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 | | BBQ | | Name: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE | | Formula: | C32 H44 B N4 O9 | | SMILES: | CC(C)(C)[CH](NC(=O)OC1CCCC1)C(=O)N2C[CH](C[CH]2C(=O)N[CH]3CCO[B]34OC[CH](O)CO4)Oc5nccc6ccccc56 | | InChi: | InChI=1S/C32H44BN4O9/c1-32(2,3)27(36-31(41)46-22-9-5-6-10-22)30(40)37-17-23(45-29-24-11-7-4-8-20(24)12-14-34-29)16-25(37)28(39)35-26-13-15-42-33(26)43-18-21(38)19-44-33/h4,7-8,11-12,14,21-23,25-27,38H,5-6,9-10,13,15-19H2,1-3H3,(H,35,39)(H,36,41)/t23-,25+,26+,27-/m1/s1 | | Definition date: | 2010-04-22 | | Last modified: | 2011-06-04 | | Identifier: | cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate |
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 | | BBR | | Name: | (3-bromo-2-oxo-propoxy)phosphonic acid | | Formula: | C3 H6 Br O5 P | | SMILES: | O=P(O)(O)OCC(=O)CBr | | InChi: | InChI=1S/C3H6BrO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8) | | Definition date: | 2007-10-25 | | Last modified: | 2011-06-04 | | Identifier: | 3-bromo-2-oxopropyl dihydrogen phosphate |
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 | | BBT | | Name: | 2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE | | Formula: | C17 H21 N3 O4 | | SMILES: | O=C2NC(=NC(=O)C2(c1ccccc1)N3CCC(CC3)CCO)O | | InChi: | InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24) | | Definition date: | 2001-07-16 | | Last modified: | 2011-06-04 | | Identifier: | (5R)-2-hydroxy-5-[4-(2-hydroxyethyl)piperidin-1-yl]-5-phenylpyrimidine-4,6(1H,5H)-dione |
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 | | BBY | | Name: | 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine | | Formula: | C11 H10 Br N3 O2 | | SMILES: | Brc1cc(cc2OCOc12)c3cc(nn3C)N | | InChi: | InChI=1S/C11H10BrN3O2/c1-15-8(4-10(13)14-15)6-2-7(12)11-9(3-6)16-5-17-11/h2-4H,5H2,1H3,(H2,13,14) | | Definition date: | 2010-09-29 | | Last modified: | 2011-06-04 | | Identifier: | 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine |
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 | | BC | | Name: | BENZO[G]CHRYSENE | | Formula: | C22 H18 O3 | | SMILES: | OC5c1c(c3c(cc1)c2ccccc2c4ccccc34)CC(O)C5O | | InChi: | InChI=1S/C22H18O3/c23-19-11-18-17(21(24)22(19)25)10-9-16-14-7-2-1-5-12(14)13-6-3-4-8-15(13)20(16)18/h1-10,19,21-25H,11H2/t19-,21-,22-/m0/s1 | | Definition date: | 1999-08-17 | | Last modified: | 2011-06-04 | | Identifier: | (11S,12S,13S)-11,12,13,14-tetrahydrobenzo[g]chrysene-11,12,13-triol |
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 | | BC1 | | Name: | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID | | Formula: | C19 H17 N3 O3 | | SMILES: | O=C(O)CCNC(=O)C3(C#N)c1c(cccc1)N(c2c3cccc2)C | | InChi: | InChI=1S/C19H17N3O3/c1-22-15-8-4-2-6-13(15)19(12-20,14-7-3-5-9-16(14)22)18(25)21-11-10-17(23)24/h2-9H,10-11H2,1H3,(H,21,25)(H,23,24) | | Definition date: | 2002-06-18 | | Last modified: | 2011-06-04 | | Identifier: | N-[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]-beta-alanine |
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 | | OX1 | | Name: | [2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE | | Formula: | C18 H16 O4 | | SMILES: | O=C(O)CCC24OOC(c1ccccc12)(c3c4cccc3)C | | InChi: | InChI=1S/C18H16O4/c1-17-12-6-2-4-8-14(12)18(22-21-17,11-10-16(19)20)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,19,20)/t17-,18+ | | Definition date: | 2002-06-17 | | Last modified: | 2011-06-04 | | Identifier: | 3-(10-methyl-9,10-epidioxyanthracen-9(10H)-yl)propanoic acid |
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 | | OX6 | | Name: | TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE | | Formula: | C11 H19 N3 O3 | | SMILES: | O=C(OC(C)(C)C)NC(c1nnco1)C(C)C | | InChi: | InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1 | | Definition date: | 2007-05-22 | | Last modified: | 2011-06-04 | | Identifier: | tert-butyl [(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate |
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 | | OX7 | | Name: | TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE | | Formula: | C11 H19 N3 O3 | | SMILES: | O=C(OC(C)(C)C)NC(c1nnco1)C(C)C | | InChi: | InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1 | | Definition date: | 2007-05-22 | | Last modified: | 2011-06-04 | | Identifier: | tert-butyl [(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate |
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 | | OXG | | Name: | 8-OXOGUANINE | | Formula: | C5 H3 N5 O2 | | SMILES: | O=C1C2=NC(=O)N=C2N=C(N1)N | | InChi: | InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12) | | Definition date: | 2001-01-10 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-1H-purine-6,8-dione |
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 | | OXK | | Name: | OXALYL-COENZYME A | | Formula: | C23 H36 N7 O19 P3 S | | SMILES: | O=C(O)C(=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/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11,14-16,20,32-33H,3-8H2,1-2H3,(H,25,31)(H,26,34)(H,35,36)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/t11-,14-,15-,16+,20-/m1/s1 | | Definition date: | 2007-02-26 | | Last modified: | 2011-06-04 | | Identifier: | (3S,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-thia-11,15-diaza-3,5-diphosphaicosan-20-oic acid 3,5-dioxide (non-preferred name) |
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 | | BD1 | | Name: | 3A,4,7,7A-TETRAHYDRO-BENZO [1,3] DIOXOL-2-ONE | | Formula: | C7 H10 O3 | | SMILES: | O1C2CC=CCC2OC1O | | InChi: | InChI=1S/C7H10O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-2,5-8H,3-4H2/t5-,6+,7+ | | Definition date: | 2003-03-14 | | Last modified: | 2011-06-04 | | Identifier: | (2r,3aR,7aS)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-ol |
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 | | BD5 | | Name: | N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine | | Formula: | C35 H35 N3 O8 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc2ccc(O)cc2)Cc3ccccc3)Cc4ccc(O)cc4 | | InChi: | InChI=1S/C35H35N3O8/c39-27-15-11-24(12-16-27)20-30(38-35(45)46-22-26-9-5-2-6-10-26)33(42)36-29(19-23-7-3-1-4-8-23)32(41)37-31(34(43)44)21-25-13-17-28(40)18-14-25/h1-18,29-31,39-40H,19-22H2,(H,36,42)(H,37,41)(H,38,45)(H,43,44)/t29-,30+,31-/m0/s1 | | Definition date: | 2009-06-22 | | Last modified: | 2011-06-04 | | Identifier: | N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine |
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 | | BD9 | | Name: | N-undecanoyl-L-histidyl-L-histidyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide | | Formula: | C40 H55 N9 O5 | | SMILES: | O=C(N(CCc1ncccc1)C)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCCC)Cc2cncn2)Cc3ncnc3)Cc4ccc(O)cc4 | | InChi: | InChI=1S/C40H55N9O5/c1-3-4-5-6-7-8-9-10-14-37(51)46-34(23-31-25-41-27-44-31)38(52)47-35(24-32-26-42-28-45-32)39(53)48-36(22-29-15-17-33(50)18-16-29)40(54)49(2)21-19-30-13-11-12-20-43-30/h11-13,15-18,20,25-28,34-36,50H,3-10,14,19,21-24H2,1-2H3,(H,41,44)(H,42,45)(H,46,51)(H,47,52)(H,48,53)/t34-,35-,36-/m0/s1 | | Definition date: | 2009-06-22 | | Last modified: | 2011-06-04 | | Identifier: | N-undecanoyl-L-histidyl-L-histidyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide |
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 | | OXT | | Name: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-1,11,15,17-TETRAHYDROXY-12,12-DIMETHYL-15,17-DIOXIDO-6,10-DIOXO-14,16,18-TRIOXA-2-THIA-5,9-DIAZA-15,17-DIPHOSPHANONADEC-1-YL}-5-(2-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM | | Formula: | C34 H55 N11 O24 P5 S2 | | SMILES: | O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(O)c2sc(c([n+]2Cc3cnc(nc3N)C)C)CCOP(=O)(O)OP(=O)(O)O)n4c5ncnc(N)c5nc4 | | InChi: | InChI=1S/C34H54N11O24P5S2/c1-17-21(6-9-63-72(57,58)68-71(54,55)56)76-32(44(17)12-19-11-39-18(2)43-27(19)35)33(50)75-10-8-37-22(46)5-7-38-30(49)26(48)34(3,4)14-65-74(61,62)69-73(59,60)64-13-20-25(67-70(51,52)53)24(47)31(66-20)45-16-42-23-28(36)40-15-41-29(23)45/h11,15-16,20,24-26,31,33,47-48,50H,5-10,12-14H2,1-4H3,(H12-,35,36,37,38,39,40,41,43,46,49,51,52,53,54,55,56,57,58,59,60,61,62)/p+1/t20-,24-,25-,26+,31-,33-/m1/s1 | | Definition date: | 2007-02-26 | | Last modified: | 2011-06-04 | | Identifier: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium (non-preferred name) |
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 | | BDB | | Name: | 4,4'-BIPHENYLDIBORONIC ACID | | Formula: | C12 H12 B2 O4 | | SMILES: | OB(O)c1ccc(cc1)c2ccc(cc2)B(O)O | | InChi: | InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H | | Definition date: | 2001-11-20 | | Last modified: | 2011-06-04 | | Identifier: | biphenyl-4,4'-diyldiboronic acid |
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