Chem
J-GLOBAL ID：200907092828573707   Nikkaji number：J15.491A

Protoemetine

プロトエメチン
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： C19H27NO3
Molecular formula furigana： C19-H27-N-O3
Molecular weight： 317.429
InChI： InChI=1S/C19H27NO3/c1-4-13-12-20-7-5-15-10-18(22-2)19(23-3)11-16(15)17(20)9-14(13)6-8-21/h8,10-11,13-14,17H,4-7,9,12H2,1-3H3/t13-,14-,17-/m0/s1
InChI key： BBVFHYCHEWCGBH-ZQIUZPCESA-N
SMILES： CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC=O
Systematic name  (4)：
  • (2R)-3β-エチル-1,3,4,6,7,11bβ-ヘキサヒドロ-9,10-ジメトキシ-2H-ベンゾ[a]キノリジン-2α-アセトアルデヒド
  • (2R)-3β-エチル-9,10-ジメトキシ-1,3,4,6,7,11bβ-ヘキサヒドロ-2H-ベンゾ[a]キノリジン-2α-アセトアルデヒド
  • 2-[(2R,3R,11bS)-3-エチル-9,10-ジメトキシ-1H,2H,3H,4H,6H,7H,11bH-ピリド[2,1-a]イソキノリン-2-イル]アセトアルデヒド
  • 2-[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl]acetaldehyde
Other name (6)：
  • プロトエメチン
  • Protoemetine
  • (2R)-3β-Ethyl-1,3,4,6,7,11bβ-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizine-2α-acetaldehyde
  • (2R)-3β-Ethyl-9,10-dimethoxy-1,3,4,6,7,11bβ-hexahydro-2H-benzo[a]quinolizine-2α-acetaldehyde
  • (-)-プロトエメチン
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CAS registry number： 549-91-7
KEGG COMPOUND： C11816
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