Chem
J-GLOBAL ID：200907008260005015   Nikkaji number：J6.545E

Epiquinine

エピキニン
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： C20H24N2O2
Molecular formula furigana： C20-H24-N2-O2
Molecular weight： 324.424
InChI： InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20-/m0/s1
InChI key： LOUPRKONTZGTKE-FEBSWUBLSA-N
SMILES： COc1ccc2nccc([C@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
Systematic name  (4)：
  • (8α,9S)-6′-メトキシシンコナン-9-オール
  • (8S,9S)-6′-メトキシシンコナン-9-オール
  • (S)-[(2S,4S,5R)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](6-メトキシキノリン-4-イル)メタノール
  • (S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol
Other name (8)：
  • エピキニン
  • Epiquinine
  • (8α,9S)-6′-Methoxycinchonan-9-ol
  • 9-エピキニン
  • 9-Epiquinine
Show all
CAS registry number： 572-60-1
Regulation number (1)：
  • EINECS2093411
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