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BM9
BM9
表記:[S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-3-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXA MIDE
組成式:C25 H34 N6 O5 S
SMILES:O=C(N2C(CNC(=O)C1CCCN(C(=[N@H])N)C1)CCC2)C(NS(=O)(=O)c4cc3ccccc3cc4)CO
InChi:InChI=1S/C25H34N6O5S/c26-25(27)30-11-3-7-19(15-30)23(33)28-14-20-8-4-12-31(20)24(34)22(16-32)29-37(35,36)21-10-9-17-5-1-2-6-18(17)13-21/h1-2,5-6,9-10,13,19-20,22,29,32H,3-4,7-8,11-12,14-16H2,(H3,26,27)(H,28,33)/t19-,20-,22-/m0/s1
別名:BMS-189090
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(3S)-1-carbamimidoyl-N-({(2S)-1-[N-(naphthalen-2-ylsulfonyl)-L-seryl]pyrrolidin-2-yl}methyl)piperidine-3-carboxamide
BMH
BMH
表記:5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM, 6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, INNER SALT, (4R-(4ALPHA,5BETA,6BETA(R*)))-
組成式:C15 H22 N4 O5 S
SMILES:O=C(O)C(C(O)C)C3NC(=C(SC2C[n+]1cncn1C2)C3C)C([O-])O
InChi:InChI=1S/C15H22N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-11,15,17,20,23H,3-4H2,1-2H3,(H,21,22)/t7-,8-,10-,11-,15-/m1/s1
別名:BIAPENEM (HYDLYZED)
定義日:2004-08-25
最終更新日:2020-06-17
識別子（ID）:(S)-[(4R,5S)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-4-methyl-4,5-dihydro-1H-pyrrol-2-yl](hydroxy)methanolate
BN3
BN3
表記:4-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACID
組成式:C18 H15 Cl3 N2 O5
SMILES:Clc2cc(OCCCC(=O)O)ccc2NC(=O)NC(=O)c1ccc(Cl)cc1Cl
InChi:InChI=1S/C18H15Cl3N2O5/c19-10-3-5-12(13(20)8-10)17(26)23-18(27)22-15-6-4-11(9-14(15)21)28-7-1-2-16(24)25/h3-6,8-9H,1-2,7H2,(H,24,25)(H2,22,23,26,27)
別名:4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID
定義日:2004-12-10
最終更新日:2020-06-17
識別子（ID）:4-[3-chloro-4-({[(2,4-dichlorophenyl)carbonyl]carbamoyl}amino)phenoxy]butanoic acid
BN5
BN5
表記:5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2-METHYLPHENOXY]PENTANOIC ACID
組成式:C20 H20 Cl2 N2 O5
SMILES:O=C(c1ccc(Cl)cc1Cl)NC(=O)Nc2cccc(OCCCCC(=O)O)c2C
InChi:InChI=1S/C20H20Cl2N2O5/c1-12-16(5-4-6-17(12)29-10-3-2-7-18(25)26)23-20(28)24-19(27)14-9-8-13(21)11-15(14)22/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,25,26)(H2,23,24,27,28)
別名:5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID
定義日:2004-12-10
最終更新日:2020-06-17
識別子（ID）:5-[3-({[(2,4-dichlorophenyl)carbonyl]carbamoyl}amino)-2-methylphenoxy]pentanoic acid
BOM
BOM
表記:HEXADECA-10,12-DIEN-1-OL
組成式:C16 H30 O
SMILES:OCCCCCCCCCC=CC=C/CCC
InChi:InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,17H,2-3,8-16H2,1H3/b5-4-,7-6+
別名:BOMBYKOL
定義日:2000-01-14
最終更新日:2020-06-17
識別子（ID）:(10E,12Z)-hexadeca-10,12-dien-1-ol
BOW
BOW
表記:octyl sulfamate
組成式:C8 H19 N O3 S
SMILES:O=S(=O)(OCCCCCCCC)N
InChi:InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
別名:n-Octyl sulfamate
定義日:2009-07-20
最終更新日:2020-06-17
識別子（ID）:octyl sulfamate
BP1
BP1
表記:6-BROMO-7H-PURINE
組成式:C5 H3 Br N4
SMILES:Brc1ncnc2ncnc12
InChi:InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
別名:BROMOPURINE
定義日:2004-02-24
最終更新日:2020-06-17
識別子（ID）:6-bromo-7H-purine
BPF
BPF
表記:N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium
組成式:C22 H26 N4 O
SMILES:o1c(ccc1c2ccc(/C(=[NH+]/CC)N)cc2)c3ccc(C(=[NH+]/CC)/N)cc3
InChi:InChI=1S/C22H24N4O/c1-3-25-21(23)17-9-5-15(6-10-17)19-13-14-20(27-19)16-7-11-18(12-8-16)22(24)26-4-2/h5-14H,3-4H2,1-2H3,(H2,23,25)(H2,24,26)/p+2
別名:DB185
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium
BPJ
BPJ
表記:(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL
組成式:C18 H16 O3
SMILES:OC4c3c(c1c(ccc2c1cccc2)cc3)CC(O)C4O
InChi:InChI=1S/C18H16O3/c19-15-9-14-13(17(20)18(15)21)8-7-11-6-5-10-3-1-2-4-12(10)16(11)14/h1-8,15,17-21H,9H2/t15-,17-,18-/m0/s1
別名:1R-TRANS-ANTI-BENZO[C]PHENANTHRENE
定義日:2001-01-25
最終更新日:2020-06-17
識別子（ID）:(2S,3S,4S)-1,2,3,4-tetrahydrobenzo[c]phenanthrene-2,3,4-triol
BPL
BPL
表記:1-BENZO[A]PYREN-6-YL-3-METHYL-UREA
組成式:C22 H16 N2 O
SMILES:O=C(NC)Nc4c5c(c1ccc3c2c1c4ccc2ccc3)cccc5
InChi:InChI=1S/C22H16N2O/c1-23-22(25)24-21-17-8-3-2-7-15(17)16-11-9-13-5-4-6-14-10-12-18(21)20(16)19(13)14/h2-12H,1H3,(H2,23,24,25)
別名:6-[3-METHYLUREAYL]-BENZO[A]PYRENE
定義日:2000-03-20
最終更新日:2020-06-17
識別子（ID）:1-benzo[pqr]tetraphen-6-yl-3-methylurea
BPS
BPS
表記:1,1'-BIPHENYL-2-SULFINIC ACID
組成式:C12 H10 O2 S
SMILES:O=S(O)c2ccccc2c1ccccc1
InChi:InChI=1S/C12H10O2S/c13-15(14)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,13,14)
別名:BIPHENYL-2-SULFINIC ACID
定義日:2004-10-15
最終更新日:2020-06-17
識別子（ID）:biphenyl-2-sulfinic acid
BPZ
BPZ
表記:4,4'-cyclohexane-1,1-diyldiphenol
組成式:C18 H20 O2
SMILES:Oc1ccc(cc1)C3(c2ccc(O)cc2)CCCCC3
InChi:InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2
別名:4,4-Cyclohexylidenebisphenol, bisphenol Z
定義日:2008-03-18
最終更新日:2020-06-17
識別子（ID）:4,4'-cyclohexane-1,1-diyldiphenol
BRE
BRE
表記:2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID
組成式:C23 H16 F N O2
SMILES:Fc1ccc2nc(c(c(c2c1)C(=O)O)C)c4ccc(c3ccccc3)cc4
InChi:InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)
別名:BREQUINAR ANALOG
定義日:1999-10-01
最終更新日:2020-06-17
識別子（ID）:2-biphenyl-4-yl-6-fluoro-3-methylquinoline-4-carboxylic acid
BRL
BRL
表記:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
組成式:C18 H19 N3 O3 S
SMILES:O=C1NC(=O)SC1Cc3ccc(OCCN(c2ncccc2)C)cc3
InChi:InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)/t15-/m0/s1
別名:BRL49653
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(5S)-5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione
BRN
BRN
表記:BERENIL
組成式:C14 H15 N7
SMILES:N(=N/Nc1ccc(cc1)C(=[N@H])N)c2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
別名:DIMINAZINE ACETURATE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:4-[(1E)-3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]benzenecarboximidamide
BRS
BRS
表記:2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL
組成式:C14 H11 Cl N2 O5
SMILES:Clc1ccc(cc1)C(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2O)C
InChi:InChI=1S/C14H11ClN2O5/c1-8(9-2-4-10(15)5-3-9)12-6-11(16(19)20)7-13(14(12)18)17(21)22/h2-8,18H,1H3/t8-/m1/s1
別名:DNP-19
定義日:2001-12-07
最終更新日:2020-06-17
識別子（ID）:2-[(1R)-1-(4-chlorophenyl)ethyl]-4,6-dinitrophenol
BRV
BRV
表記:5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid
組成式:C8 H4 Br3 N O4
SMILES:Brc1c(c(Br)c(C(=O)O)c(Br)c1N)C(=O)O
InChi:InChI=1S/C8H4Br3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
別名:5-Amino-2,4,6-tribromoisophthalic acid
定義日:2009-03-30
最終更新日:2020-06-17
識別子（ID）:5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid
BRW
BRW
表記:6-BROMOINDIRUBIN-3'-OXIME
組成式:C16 H10 Br N3 O2
SMILES:Brc1ccc2c(c1)NC(=O)C/2=C4C(=NO)c3ccccc3N4
InChi:InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
別名:(3E)-6'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-OXIME
定義日:2004-01-14
最終更新日:2020-06-17
識別子（ID）:(2Z,3E)-6'-bromo-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime
BST
BST
表記:6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
組成式:C17 H28 N8 O6
SMILES:O=C1NC(O)(N)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C
InChi:InChI=1S/C17H28N8O6/c1-24(15(19)20)6-4-9(18)8-11(26)22-10-2-3-12(31-13(10)14(27)28)25-7-5-17(21,30)23-16(25)29/h2-3,5,7,9-10,12-13,30H,4,6,8,18,21H2,1H3,(H3,19,20)(H,22,26)(H,23,29)(H,27,28)/t9-,10-,12+,13-,17-/m0/s1
別名:TETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S
定義日:2004-07-30
最終更新日:2020-06-17
識別子（ID）:(4S)-4-amino-1-[4-({(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl}amino)-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl]-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
BSU
BSU
表記:1,3-DIPHENYLUREA
組成式:C13 H12 N2 O
SMILES:O=C(Nc1ccccc1)Nc2ccccc2
InChi:InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
別名:DIPHENYLCARBAMIDE
定義日:2001-05-22
最終更新日:2020-06-17
識別子（ID）:1,3-diphenylurea
BT8
BT8
表記:3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole
組成式:C21 H26 N4 O3
SMILES:n1nc(ccc1C)N2CCC(CC2)CCOc4ccc3c(onc3OCC)c4
InChi:InChI=1S/C21H26N4O3/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20/h4-7,14,16H,3,8-13H2,1-2H3
別名:BTA798
定義日:2012-01-05
最終更新日:2020-06-17
公開日:2012-09-07
識別子（ID）:3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole
BTB
BTB
表記:2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
組成式:C8 H19 N O5
SMILES:OCCN(C(CO)(CO)CO)CCO
InChi:InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
別名:BIS-TRIS BUFFER
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
BTQ
BTQ
表記:EPI-BIOTIN
組成式:C10 H16 N2 O3 S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)O
InChi:InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9-/m0/s1
別名:5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID
定義日:2005-11-17
最終更新日:2020-06-17
識別子（ID）:5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
BV3
BV3
表記:1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE
組成式:C63 H91 N15 O26
SMILES:O=[N+]([O-])c2cc(cc(OC1OC(CO)C(O)C(O)C1O)c2)C(=O)NCCCN3CCN(CC3)CCCNC=4C(=O)C(=O)C=4NCCNC(=O)OCC(N)COC(=O)NCCNC=5C(=O)C(=O)C=5NCCCN6CCN(CC6)CCCNC(=O)c8cc(OC7OC(C(O)C(O)C7O)CO)cc([N+]([O-])=O)c8
InChi:InChI=1S/C63H91N15O26/c64-37(33-99-62(93)71-11-9-67-46-44(50(83)52(46)85)65-5-1-13-73-17-21-75(22-18-73)15-3-7-69-58(91)35-25-38(77(95)96)29-40(27-35)101-60-56(89)54(87)48(81)42(31-79)103-60)34-100-63(94)72-12-10-68-47-45(51(84)53(47)86)66-6-2-14-74-19-23-76(24-20-74)16-4-8-70-59(92)36-26-39(78(97)98)30-41(28-36)102-61-57(90)55(88)49(82)43(32-80)104-61/h25-30,37,42-43,48-49,54-57,60-61,65-68,79-82,87-90H,1-24,31-34,64H2,(H,69,91)(H,70,92)(H,71,93)(H,72,94)/t37?,42-,43?,48+,49?,54+,55?,56-,57?,60+,61?/m1/s1
別名:BV3
定義日:2003-11-24
最終更新日:2020-06-17
識別子（ID）:2-amino-3-{[(2-{[2-({3-[4-(3-{[(3-nitro-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}ethyl)carbamoyl]oxy}propyl (2-{[2-({3-[4-(3-{[(3-nitro-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}ethyl)carbamate (non-preferred name)
BVF
BVF
表記:4-METHYLPYRIDIN-2-AMINE
組成式:C6 H8 N2
SMILES:n1ccc(cc1N)C
InChi:InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
別名:2-AMINO-4-PICOLINE
定義日:2005-11-08
最終更新日:2020-06-17
識別子（ID）:4-methylpyridin-2-amine

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