 | | BEJ | | Name: | N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE] | | Formula: | C42 H52 N6 O8 | | SMILES: | O=C(NC)C(NC(=O)C(OCc2ccc(c1cccnc1)cc2)C(O)C(O)C(OCc4ccc(c3cccnc3)cc4)C(=O)NC(C(=O)NC)C(C)C)C(C)C | | InChi: | InChI=1S/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-11-15-29(16-12-27)31-9-7-19-45-21-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-13-17-30(18-14-28)32-10-8-20-46-22-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1 | | Synonyms: | INHIBITOR BEA428 | | Definition date: | 2000-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[(4-pyridin-3-ylbenzyl)oxy]hexanediamide (non-preferred name) |
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 | | SQS | | Name: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol | | Formula: | C18 H37 N O2 | | SMILES: | OCC(N)C(O)/C=C/CCCCCCCCCCCCC | | InChi: | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1 | | Synonyms: | D-Sphingosine | | Definition date: | 2013-04-26 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-08 | | Identifier: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol |
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 | | SQU | | Name: | 2,10,23-TRIMETHYL-TETRACOSANE | | Formula: | C27 H56 | | SMILES: | C(CCCCCCCC(C)CCCCCCCCCCCCC(C)C)(C)C | | InChi: | InChI=1S/C27H56/c1-25(2)21-17-13-10-8-6-7-9-11-15-19-23-27(5)24-20-16-12-14-18-22-26(3)4/h25-27H,6-24H2,1-5H3/t27-/m1/s1 | | Synonyms: | LIPID FRAGMENT | | Definition date: | 1999-09-16 | | Last modified: | 2020-06-17 | | Identifier: | (10R)-2,10,23-trimethyltetracosane |
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 | | BEP | | Name: | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | | Formula: | C24 H34 N2 O | | SMILES: | O(CC(C)C)CC(N1CCCC1)CN(c2ccccc2)Cc3ccccc3 | | InChi: | InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m0/s1 | | Synonyms: | BEPRIDIL | | Definition date: | 2000-01-24 | | Last modified: | 2020-06-17 | | Identifier: | N-benzyl-N-[(2S)-3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline |
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 | | BES | | Name: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID | | Formula: | C16 H24 N2 O4 | | SMILES: | O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C | | InChi: | InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1 | | Synonyms: | BESTATIN | | Definition date: | 2000-12-27 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine |
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 | | BF0 | | Name: | methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate | | Formula: | C25 H32 N2 O6 | | SMILES: | O=C(OC)CCC(=O)NC1CCC5(O)C4N(CCC52c3c(ccc(O)c3OC12)C4)CC6CC6 | | InChi: | InChI=1S/C25H32N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-5,14,16,18,23,28,31H,2-3,6-13H2,1H3,(H,26,29)/t16-,18-,23+,24+,25-/m1/s1 | | Synonyms: | beta-funaltrexamine, bound form | | Definition date: | 2012-02-07 | | Last modified: | 2020-06-17 | | Identifier: | methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate |
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 | | SRE | | Name: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine | | Formula: | C17 H17 Cl2 N | | SMILES: | Clc1ccc(cc1Cl)C3c2c(cccc2)C(NC)CC3 | | InChi: | InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | | Synonyms: | Sertraline | | Definition date: | 2009-04-03 | | Last modified: | 2020-06-17 | | Identifier: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine |
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 | | BFB | | Name: | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | | Formula: | C14 H20 N4 O2 | | SMILES: | O=C(NC(C(=O)N)CCCNC(=[N@H])C)c1ccccc1 | | InChi: | InChI=1S/C14H20N4O2/c1-10(15)17-9-5-8-12(13(16)19)18-14(20)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H2,15,17)(H2,16,19)(H,18,20)/t12-/m0/s1 | | Synonyms: | (S)-N-ALPHA-BENZOYL-N5-(2-FLUORO-1-IMINOETHYL)-L-ORNITHINE AMIDE | | Definition date: | 2006-08-09 | | Last modified: | 2020-06-17 | | Identifier: | N-{(1S)-1-carbamoyl-4-[(1Z)-ethanimidoylamino]butyl}benzamide |
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 | | SRL | | Name: | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | | Formula: | C24 H42 O7 P2 | | SMILES: | O=P(OCC)(OCC)/C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC | | InChi: | InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3 | | Synonyms: | SR12813 | | Definition date: | 2001-05-22 | | Last modified: | 2020-06-17 | | Identifier: | tetraethyl [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonate) |
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 | | BFI | | Name: | 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE | | Formula: | C19 H11 Br F2 N2 O4 | | SMILES: | Brc1ccc(c(F)c1)CN4C(=O)c2ccc(F)cc2C3(C(=O)NC(=O)C3)C4=O | | InChi: | InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1 | | Synonyms: | MINALRESTAT | | Definition date: | 2003-07-07 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone |
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 | | BFR | | Name: | N-butyl-N'-(diaminomethylidene)guanidine | | Formula: | C6 H15 N5 | | SMILES: | C(C)CCNC(=N)N=C(/N)N | | InChi: | InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11) | | Synonyms: | Buformin | | Definition date: | 2017-01-19 | | Last modified: | 2020-06-17 | | Release date: | 2018-01-31 | | Identifier: | N-butyl-N'-(diaminomethylidene)guanidine |
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 | | BFT | | Name: | S-BENZOYLTHIAMINE O-MONOPHOSPHATE | | Formula: | C19 H25 N4 O6 P S | | SMILES: | O=P(O)(O)OCCC(SC(=O)c1ccccc1)C(N(C=O)Cc2cnc(nc2N)C)C | | InChi: | InChI=1S/C19H25N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12-13,17H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/t13-,17+/m0/s1 | | Synonyms: | BENFOTIAMINE | | Definition date: | 2006-07-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1,2,4-trideoxy-3-S-(phenylcarbonyl)-5-O-phosphono-3-thio-D-erythro-pentitol |
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 | | SRY | | Name: | STREPTOMYCIN | | Formula: | C21 H39 N7 O12 | | SMILES: | O=CC3(O)C(OC1OC(C(O)C(O)C1NC)CO)C(OC2C(NC(=[N@H])N)C(O)C(NC(=[N@H])N)C(O)C2O)OC3C | | InChi: | InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1 | | Synonyms: | STREPTOMYCIN A | | Definition date: | 2000-08-25 | | Last modified: | 2020-06-17 | | Identifier: | N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine |
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 | | SS2 | | Name: | (1R)-1-PHENYLETHANOL | | Formula: | C8 H10 O | | SMILES: | OC(c1ccccc1)C | | InChi: | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1 | | Synonyms: | 1-PHENYLETHANOL | | Definition date: | 2005-06-13 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-1-phenylethanol |
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 | | BFZ | | Name: | 7-BROMO-1-[2-(DIETHYLAMINO)ETHYL]-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE | | Formula: | C21 H23 Br F N3 O | | SMILES: | Fc3ccccc3C2=NCC(=O)N(c1c2cc(Br)cc1)CCN(CC)CC | | InChi: | InChI=1S/C21H23BrFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3 | | Synonyms: | BROMOFLURAZEPAM | | Definition date: | 2011-11-24 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-12 | | Identifier: | 7-bromo-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one |
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 | | SSD | | Name: | 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT | | Formula: | C9 H18 O9 S2 | | SMILES: | [O-]S([O-])([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1 | | InChi: | InChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6+,7+,8+,9-,19+/m0/s1 | | Synonyms: | DIASTEREOMER OF SALACINOL | | Definition date: | 2004-06-22 | | Last modified: | 2020-06-17 | | Identifier: | ({[(1R,2R)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name) |
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 | | SSI | | Name: | [(3S)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid | | Formula: | C11 H17 N4 O5 P | | SMILES: | O=P(O)(O)CCC(NCc2c1N=CNC(=O)c1nc2)CO | | InChi: | InChI=1S/C11H17N4O5P/c16-5-8(1-2-21(18,19)20)12-3-7-4-13-10-9(7)14-6-15-11(10)17/h4,6,8,12-13,16H,1-3,5H2,(H,14,15,17)(H2,18,19,20)/t8-/m0/s1 | | Synonyms: | S-SerMe-ImmH phosphonate | | Definition date: | 2010-09-27 | | Last modified: | 2020-06-17 | | Identifier: | [(3S)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid |
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 | | SSR | | Name: | 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol | | Formula: | C28 H28 F N3 O2 | | SMILES: | O=C(c3c1c(c(O)ccc1n(c2ccccc2)c3Cc4cccc(F)c4C)C)N5CCNCC5 | | InChi: | InChI=1S/C28H28FN3O2/c1-18-20(7-6-10-22(18)29)17-24-27(28(34)31-15-13-30-14-16-31)26-19(2)25(33)12-11-23(26)32(24)21-8-4-3-5-9-21/h3-12,30,33H,13-17H2,1-2H3 | | Synonyms: | [2-(3-Fluoro-2-methyl-benzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl]-piperazin-1-yl-methanone | | Definition date: | 2010-09-01 | | Last modified: | 2020-06-17 | | Identifier: | [2-(3-fluoro-2-methylbenzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl](piperazin-1-yl)methanone |
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 | | SST | | Name: | L-arabinitol | | Formula: | C5 H12 O5 | | SMILES: | OC(CO)C(O)C(O)CO | | InChi: | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1 | | Synonyms: | (2S,4S)-pentane-1,2,3,4,5-pentol | | Definition date: | 2014-09-02 | | Last modified: | 2020-06-17 | | Release date: | 2015-08-12 | | Identifier: | L-arabinitol |
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 | | SSU | | Name: | URIDINE-5'-PHOSPHOROTHIOATE | | Formula: | C9 H13 N2 O8 P S | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=S)(O)O | | InChi: | InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | SP-SULFUR-SUBSTITUTED URIDINE | | Definition date: | 2003-04-09 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-thiophosphonouridine |
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 | | BH7 | | Name: | E-AMINO BIOTINYL CAPROIC ACID | | Formula: | C16 H27 N3 O4 S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCCC(=O)O | | InChi: | InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1 | | Synonyms: | 6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID | | Definition date: | 2002-04-15 | | Last modified: | 2020-06-17 | | Identifier: | 6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid |
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 | | BHE | | Name: | octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | | Formula: | C20 H38 O10 | | SMILES: | O(CCCCCCCC)C2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO | | InChi: | InChI=1S/C20H38O10/c1-3-4-5-6-7-8-9-27-20-18(16(25)14(23)12(10-21)29-20)30-19-17(26)15(24)13(22)11(2)28-19/h11-26H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16-,17-,18+,19-,20+/m0/s1 | | Synonyms: | H-antigen acceptor | | Definition date: | 2008-01-04 | | Last modified: | 2020-06-17 | | Identifier: | octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside |
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 | | STI | | Name: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE | | Formula: | C29 H31 N7 O | | SMILES: | O=C(Nc3ccc(c(Nc2nc(c1cccnc1)ccn2)c3)C)c4ccc(cc4)CN5CCN(CC5)C | | InChi: | InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | | Synonyms: | STI-571 | | Definition date: | 2001-04-11 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide |
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 | | BHF | | Name: | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | | Formula: | C19 H12 O2 | | SMILES: | O=C1c4c(OC(=C1)c2ccccc2)c3ccccc3cc4 | | InChi: | InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | | Synonyms: | 7,8-BENZOFLAVONE | | Definition date: | 2006-06-30 | | Last modified: | 2020-06-17 | | Identifier: | 2-phenyl-4H-benzo[h]chromen-4-one |
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 | | BHN | | Name: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid | | Formula: | C20 H24 N2 O6 | | SMILES: | O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2O)CC(=O)O | | InChi: | InChI=1S/C20H24N2O6/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28) | | Synonyms: | N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid | | Definition date: | 2010-05-26 | | Last modified: | 2020-06-17 | | Identifier: | 2,2'-{ethane-1,2-diylbis[(2-hydroxybenzyl)imino]}diacetic acid (non-preferred name) |
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