Substance
  • Substance Name: Fluconazole
  • Formula: C13H12F2N6O
  • Molecular Weight: 306.27 g/mol
  • Identifiers:
    • casrn: 86386-73-4
    • pubchemId: 3365
    • iupacname: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
    • inchi: InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
    • inchikey: RFHAOTPXVQNOHP-UHFFFAOYSA-N
    • csmiles: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
    • ismiles: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
    • wikidataId: Q411478
    • chemspiderId: 3248
    • dsstoxcmpId: DTXCID10627
    • chemblId: CHEMBL106
    • ecnumber: 627-806-0
Fluconazole
Systems and Datasets