2-Desfluoro Fluconazole - CAS 81886-51-3

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Catalog Number: R022108

CAS Number: 81886-51-3

PubChem Substance ID:355093864

Molecular Formula: C13H13FN6O

Molecular Weight:288.286

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonymsα-(4-Fluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-Triazole-1-ethanol; USP Fluconazole Related Compound B;

Property

Molecular Formula: C13H13FN6O
Molecular Weight288.286
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name2-(4-fluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
InChIInChI=1S/C13H13FN6O/c14-12-3-1-11(2-4-12)13(21,5-19-9-15-7-17-19)6-20-10-16-8-18-20/h1-4,7-10,21H,5-6H2
InChIKeyHUEOBFHUKGPCHO-UHFFFAOYSA-N
SMILESC1=CC(=CC=C1C(CN2C=NC=N2)(CN3C=NC=N3)O)F