Substance
  • Substance Name: refecoxib
  • Formula: C17H14O4S
  • Molecular Weight: 314.4 g/mol
  • Identifiers:
    • casrn: 162011-90-7
    • pubchemId: 5090
    • iupacname: 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
    • inchi: InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
    • inchikey: RZJQGNCSTQAWON-UHFFFAOYSA-N
    • csmiles: CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3
    • ismiles: CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3
    • wikidataId: Q411412
    • chemspiderId: 4911
    • dsstoxcmpId: DTXCID903567
    • chemblId: CHEMBL122
    • ecnumber: 803-260-0
refecoxib
Systems and Datasets