Chem
J-GLOBAL ID：200907001898146045   Nikkaji number：J2.475I

Cinchonine

シンコニン
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： C19H22N2O
Molecular formula furigana： C19-H22-N2-O
Molecular weight： 294.398
InChI： InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1
InChI key： KMPWYEUPVWOPIM-QAMTZSDWSA-N
SMILES： O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12
Systematic name  (6)：
  • [9S,(+)]-シンコナン-9-オール
  • (9S)-シンコナン-9-オール
  • (8R,9S)-シンコナン-9-オール
  • (8β,9S)-シンコナン-9-オール
  • (S)-[(2R,4S,5R)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](キノリン-4-イル)メタノール
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Other name (12)：
  • Cinchonin
  • Cinchonine
  • (9S)-Cinconan-9-ol
  • (+)-Cinchonine
  • (+)-シンコニン
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CAS registry number： 118-10-5
Regulation number (4)：
  • (9)-500
  • GD3500000
  • EINECS2042346
  • TSCA(118-10-5)
KEGG COMPOUND： C06528
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