Chem
J-GLOBAL ID：200907036932342493   Nikkaji number：J2.174.701G

ABT-737

ABT-737
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C42H45ClN5[N+]O4[O-]S2
Molecular formula furigana： C42-H45-CL-N6-O5-S2
Molecular weight： 813.430
InChI： InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
InChI key： HPLNQCPCUACXLM-PGUFJCEWSA-N
SMILES： CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2c2ccc(Cl)cc2)CC1
Systematic name  (3)：
  • N-[4-[[(R)-3-(ジメチルアミノ)-1-[(フェニルチオ)メチル]プロピル]アミノ]-3-ニトロフェニルスルホニル]-4-[4-[(4′-クロロ-1,1′-ビフェニル-2-イル)メチル]ピペラジン-1-イル]ベンズアミド
  • 4-[4-({4'-クロロ-[1,1'-ビフェニル]-2-イル}メチル)ピペラジン-1-イル]-N-(4-{[(2R)-4-(ジメチルアミノ)-1-(フェニルスルファニル)ブタン-2-イル]アミノ}-3-ニトロベンゼンスルホニル)ベンズアミド
  • 4-[4-({4'-chloro-[1,1'-biphenyl]-2-yl}methyl)piperazin-1-yl]-N-(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonyl)benzamide
Other name (2)：
  • N-[4-[[(R)-3-(Dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenylsulfonyl]-4-[4-[(4′-chloro-1,1′-biphenyl-2-yl)methyl]piperazine-1-yl]benzamide
  • ABT-737
Thsaurus map：
Thesaurus Map

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