4-Defluoro-4-(1H-1,2,4-triazol-1-yl) Fluconazole

For research use only. Not for therapeutic Use.

  • CAT Number: R057326
  • CAS Number: 871550-15-1
  • Molecular Formula: C15H14FN9O
  • Molecular Weight: 355.337
  • Purity: ≥95%
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Catalog Number R057326
CAS Number 871550-15-1
Synonyms

α-[2-fluoro-4-(1H-1,2,4-triazol-1-yl)phenyl]-α-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-Triazole-1-ethanol; Fluconazole USP Impurity B;

Molecular Formula C15H14FN9O
Purity ≥95%
Storage -20°C
IUPAC Name 2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
InChI InChI=1S/C15H14FN9O/c16-14-3-12(25-11-19-8-22-25)1-2-13(14)15(26,4-23-9-17-6-20-23)5-24-10-18-7-21-24/h1-3,6-11,26H,4-5H2
InChIKey MMBHIHSCHXTGOX-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1N2C=NC=N2)F)C(CN3C=NC=N3)(CN4C=NC=N4)O

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