Fluconazole

CAS Registry Number®

86386-73-4

CAS Name

Fluconazole

Molecular Formula

C13H12F2N6O

Molecular Mass

306.27

Cite this Page

Fluconazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=123631-92-5 (retrieved 2024-12-22) (CAS RN: 86386-73-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    138-140 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

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

InChIKey=RFHAOTPXVQNOHP-UHFFFAOYSA-N

SMILES

C(CN1C=NC=N1)(CN2C=NC=N2)(O)C3=C(F)C=C(F)C=C3

Canonical SMILES

FC1=CC=C(C(F)=C1)C(O)(CN2N=CN=C2)CN3N=CN=C3

Other Names for this Substance

  • 1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)-
  • α-(2,4-Difluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol
  • UK 49858
  • Fluconazole
  • Diflucan

View All

Deleted or Replaced CAS Registry Numbers

123631-92-5

CAS INSIGHTSTM
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