Chem
J-GLOBAL ID：200907030891963234   Nikkaji number：J2.059.059I

2-[(αS)-α-Hydroxy-4-[7-[4-(2-butoxyethoxy)phenyl]-1-(1-methyl-1H-pyrazole-4-ylmethyl)-2,3-dihydro-1H-1-benzazepine-4-ylcarbonylamino]benzyl]pyridine 1-oxide

2-[(αS)-α-ヒドロキシ-4-[7-[4-(2-ブトキシエトキシ)フェニル]-1-(1-メチル-1H-ピラゾール-4-イルメチル)-2,3-ジヒドロ-1H-1-ベンゾアゼピン-4-イルカルボニルアミノ]ベンジル]ピリジン1-オキシド
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： C40H43N4[N+]O4[O-]
Molecular formula furigana： C40-H43-N5-O5
Molecular weight： 673.814
InChI： InChI=1S/C40H43N5O5/c1-3-4-21-49-22-23-50-36-15-10-30(11-16-36)32-12-17-37-34(24-32)25-33(18-20-44(37)28-29-26-41-43(2)27-29)40(47)42-35-13-8-31(9-14-35)39(46)38-7-5-6-19-45(38)48/h5-17,19,24-27,39,46H,3-4,18,20-23,28H2,1-2H3,(H,42,47)/t39-/m0/s1
InChI key： WGDQUTLZEIXMHY-KDXMTYKHSA-N
SMILES： CCCCOCCOc1ccc(cc1)c1ccc2N(Cc3cnn(C)c3)CCC(=Cc2c1)C(=O)Nc1ccc(cc1)[C@H](O)c1cccc[n+]1[O-]
Systematic name  (3)：
  • 2-[(αS)-α-ヒドロキシ-4-[7-[4-(2-ブトキシエトキシ)フェニル]-1-(1-メチル-1H-ピラゾール-4-イルメチル)-2,3-ジヒドロ-1H-1-ベンゾアゼピン-4-イルカルボニルアミノ]ベンジル]ピリジン1-オキシド
  • 2-[(S)-(4-{7-[4-(2-ブトキシエトキシ)フェニル]-1-[(1-メチル-1H-ピラゾール-4-イル)メチル]-2,3-ジヒドロ-1H-1-ベンゾアゼピン-4-アミド}フェニル)(ヒドロキシ)メチル]ピリジン-1-イウム-1-オラート
  • 2-[(S)-(4-{7-[4-(2-butoxyethoxy)phenyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-amido}phenyl)(hydroxy)methyl]pyridin-1-ium-1-olate
Other name (1)：
  • 2-[(αS)-α-Hydroxy-4-[7-[4-(2-butoxyethoxy)phenyl]-1-(1-methyl-1H-pyrazole-4-ylmethyl)-2,3-dihydro-1H-1-benzazepine-4-ylcarbonylamino]benzyl]pyridine 1-oxide
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