Chem
J-GLOBAL ID：200907099695247032   Nikkaji number：J1.579.290F

Parecoxib

パレコキシブ
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： C19H18N2O4S
Molecular formula furigana： C19-H18-N2-O4-S
Molecular weight： 370.420
InChI： InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)
InChI key： TZRHLKRLEZJVIJ-UHFFFAOYSA-N
SMILES： CCC(=O)NS(=O)(=O)c1ccc(cc1)c1c(C)onc1c1ccccc1
Systematic name  (3)：
  • N-プロパノイル-4-(3-フェニル-5-メチルイソオキサゾール-4-イル)ベンゼンスルホンアミド
  • N-[4-(5-メチル-3-フェニル-1,2-オキサゾール-4-イル)ベンゼンスルホニル]プロパンアミド
  • N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonyl]propanamide
Other name (3)：
  • N-Propanoyl-4-(3-phenyl-5-methylisoxazole-4-yl)benzenesulfonamide
  • Parecoxib
  • パレコキシブ
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