Chem
J-GLOBAL ID：200907090641422842   Nikkaji number：J557.614H

Cotinine N-oxide

コチニンN-オキシド
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： C10H12N[N+]O[O-]
Molecular formula furigana： C10-H12-N2-O2
Molecular weight： 192.218
InChI： InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
InChI key： CIPULDKLIIVIER-VIFPVBQESA-N
SMILES： CN1[C@@H](CCC1=O)c1ccc[n+]([O-])c1
Systematic name  (4)：
  • (5S)-1-メチル-5-[(ピリジン1-オキシド)-3-イル]ピロリジン-2-オン
  • 3-[(5S)-1-メチル-2-オキソピロリジン-5-イル]ピリジン1-オキシド
  • 3-[(2S)-1-メチル-5-オキソピロリジン-2-イル]ピリジン-1-イウム-1-オラート
  • 3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-olate
Other name (4)：
  • コチニンN-オキシド
  • Cotinine N-oxide
  • 3-[(5S)-1-Methyl-2-oxopyrrolidin-5-yl]pyridine 1-oxide
  • (5S)-1-Methyl-5-[(pyridine 1-oxide)-3-yl]pyrrolidin-2-one
CAS registry number： 36508-80-2
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