Chem
J-GLOBAL ID：200907006274258290   Nikkaji number：J22.667J

MD-780515

シモキサトン
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： C19H18N2O4
Molecular formula furigana： C19-H18-N2-O4
Molecular weight： 338.363
InChI： InChI=1S/C19H18N2O4/c1-23-13-18-11-21(19(22)25-18)16-5-7-17(8-6-16)24-12-15-4-2-3-14(9-15)10-20/h2-9,18H,11-13H2,1H3
InChI key： MVVJINIUPYKZHR-UHFFFAOYSA-N
SMILES： COCC1CN(C(=O)O1)c1ccc(OCc2cccc(c2)C#N)cc1
Systematic name  (3)：
  • 3-[[4-[5-(メトキシメチル)-2-オキソオキサゾリジン-3-イル]フェノキシ]メチル]ベンゾニトリル
  • 3-({4-[5-(メトキシメチル)-2-オキソ-1,3-オキサゾリジン-3-イル]フェノキシ}メチル)ベンゾニトリル
  • 3-({4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy}methyl)benzonitrile
Other name (4)：
  • MD-780515
  • 3-[[4-[5-(Methoxymethyl)-2-oxooxazolidin-3-yl]phenoxy]methyl]benzonitrile
  • シモキサトン
  • Cimoxatone
CAS registry number： 73815-11-9
Regulation number (2)：
  • EINECS2776137
  • DI4710000
KEGG DRUG： D02581
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