Substance
  • Substance Name: valdecoxib
  • Formula: C16H14N2O3S
  • Molecular Weight: 314.4 g/mol
  • Identifiers:
    • casrn: 181695-72-7
    • pubchemId: 119607
    • iupacname: 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
    • inchi: InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
    • inchikey: LNPDTQAFDNKSHK-UHFFFAOYSA-N
    • csmiles: CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N
    • ismiles: CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N
    • wikidataId: Q347613
    • chemspiderId: 106796
    • dsstoxcmpId: DTXCID4024226
    • chemblId: CHEMBL865
    • ecnumber: 803-082-3
valdecoxib
Systems and Datasets