Voriconazole N-Oxide - CAS 618109-05-0

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Catalog Number: R007215

CAS Number: 618109-05-0

PubChem Substance ID:355433509

Molecular Formula: C16H14F3N5O2

Molecular Weight:365.316

Purity: ≥95%

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

Synonym

Synonyms(αR,βS)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-1-oxide-4-pyrimidineethanol; UK 121265;

Property

Molecular Formula: C16H14F3N5O2
Molecular Weight365.316
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-1-oxidopyrimidin-1-ium-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
InChIInChI=1S/C16H14F3N5O2/c1-10(15-14(19)5-24(26)9-21-15)16(25,6-23-8-20-7-22-23)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
InChIKeyKPLFPLUCFPRUHU-MGPLVRAMSA-N
SMILESCC(C1=NC=[N+](C=C1F)[O-])C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O