Substance
  • Substance Name: etoricoxib
  • Formula: C18H15ClN2O2S
  • Molecular Weight: 358.8 g/mol
  • Identifiers:
    • casrn: 202409-33-4
    • pubchemId: 123619
    • iupacname: 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine
    • inchi: InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
    • inchikey: MNJVRJDLRVPLFE-UHFFFAOYSA-N
    • csmiles: CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C
    • ismiles: CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C
    • wikidataId: Q631202
    • chemspiderId: 110209
    • dsstoxcmpId: DTXCID1026457
    • chemblId: CHEMBL416146
    • ecnumber: 682-421-5
etoricoxib
Systems and Datasets