Chem
J-GLOBAL ID：200907045924647853   Nikkaji number：J294.359J

Zatebradine

ザテブラジン
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： C26H36N2O5
Molecular formula furigana： C26-H36-N2-O5
Molecular weight： 456.583
InChI： InChI=1S/C26H36N2O5/c1-27(13-9-19-7-8-22(30-2)23(15-19)31-3)11-6-12-28-14-10-20-16-24(32-4)25(33-5)17-21(20)18-26(28)29/h7-8,15-17H,6,9-14,18H2,1-5H3
InChI key： KEDQCFRVSHYKLR-UHFFFAOYSA-N
SMILES： COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
Systematic name  (5)：
  • 3-[3-[[2-(3,4-ジメトキシフェニル)エチル]メチルアミノ]プロピル]-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
  • 2,3-ジヒドロ-7,8-ジメトキシ-3-[3-[N-[2-(3,4-ジメトキシフェニル)エチル]-N-メチルアミノ]プロピル]-1H-3-ベンゾアゼピン-4(5H)-オン
  • 4,5-ジヒドロ-7,8-ジメトキシ-3-[3-[N-メチル-2-(3,4-ジメトキシフェニル)エチルアミノ]プロピル]-1H-3-ベンゾアゼピン-2(3H)-オン
  • 3-(3-{[2-(3,4-ジメトキシフェニル)エチル](メチル)アミノ}プロピル)-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-(3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}propyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one
Other name (3)：
  • 4,5-Dihydro-7,8-dimethoxy-3-[3-[N-methyl-2-(3,4-dimethoxyphenyl)ethylamino]propyl]-1H-3-benzazepin-2(3H)-one
  • ザテブラジン
  • Zatebradine
CAS registry number： 85175-67-3
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