Chem
J-GLOBAL ID：200907030532978668   Nikkaji number：J1.618.211G

Quinidine pivalate

キニジンピバラート
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： C25H32N2O3
Molecular formula furigana： C25-H32-N2-O3
Molecular weight： 408.542
InChI： InChI=1S/C25H32N2O3/c1-6-16-15-27-12-10-17(16)13-22(27)23(30-24(28)25(2,3)4)19-9-11-26-21-8-7-18(29-5)14-20(19)21/h6-9,11,14,16-17,22-23H,1,10,12-13,15H2,2-5H3/t16-,17-,22+,23-/m0/s1
InChI key： FXUCCAPTUMUZTJ-ODYPEACGSA-N
SMILES： COc1ccc2nccc([C@H](OC(=O)C(C)(C)C)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
Systematic name  (3)：
  • (8R,9S)-6′-メトキシシンコナン-9-オールピバラート
  • (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](6-メトキシキノリン-4-イル)メチル 2,2-ジメチルプロパノアート
  • (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl 2,2-dimethylpropanoate
Other name (4)：
  • (8R,9S)-6′-Methoxycinchonan-9-ol pivalate
  • キニジンピバラート
  • Quinidine pivalate
  • Quinidine pivaloate
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