Chem
J-GLOBAL ID：200907094203156744   Nikkaji number：J555.359H

Cilobradine

シロブラジン
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： C28H38N2O5
Molecular formula furigana： C28-H38-N2-O5
Molecular weight： 482.621
InChI： InChI=1S/C28H38N2O5/c1-32-24-8-7-20(14-25(24)33-2)9-12-29-11-5-6-21(18-29)19-30-13-10-22-15-26(34-3)27(35-4)16-23(22)17-28(30)31/h7-8,14-16,21H,5-6,9-13,17-19H2,1-4H3/t21-/m0/s1
InChI key： OBUFMJDDZTXJPY-NRFANRHFSA-N
SMILES： COc1ccc(CCN2CCC[C@H](CN3CCc4cc(OC)c(OC)cc4CC3=O)C2)cc1OC
Systematic name  (5)：
  • 3-[[(3S)-1-(3,4-ジメトキシフェネチル)-3-ピペリジル]メチル]-1,3,4,5-テトラヒドロ-7,8-ジメトキシ-2H-3-ベンゾアゼピン-2-オン
  • (+)-3-[[(3S)-1-(3,4-ジメトキシフェネチル)-3-ピペリジル]メチル]-1,3,4,5-テトラヒドロ-7,8-ジメトキシ-2H-3-ベンゾアゼピン-2-オン
  • 3-[[(3S)-1-[2-(3,4-ジメトキシフェニル)エチル]-3-ピペリジニル]メチル]-1,3,4,5-テトラヒドロ-7,8-ジメトキシ-2H-3-ベンゾアゼピン-2-オン
  • 3-{[(3S)-1-[2-(3,4-ジメトキシフェニル)エチル]ピペリジン-3-イル]メチル}-7,8-ジメトキシ-2,3,4,5-テトラヒドロ-1H-3-ベンゾアゼピン-2-オン
  • 3-{[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl}-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one
Other name (5)：
  • シロブラジン
  • Cilobradine
  • (+)-3-[[(3S)-1-(3,4-Dimethoxyphenethyl)-3-piperidyl]methyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one
  • 3-[[(3S)-1-(3,4-Dimethoxyphenethyl)-3-piperidyl]methyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one
  • 3-[[(3S)-1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-piperidinyl]methyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepine-2-one
CAS registry number： 147541-45-5
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