ChemicalBook--->CAS DataBase List--->137234-63-0

137234-63-0

137234-63-0 Structure

137234-63-0 Structure
IdentificationBack Directory
[Name]

ent-Voriconazole
[CAS]

137234-63-0
[Synonyms]

epi-Voriconazole
ent-Voriconazole
Voriconazole isomer
Voriconazole USP RC B
Voriconazole impurity D
Voriconazole USP Related Compound B
Voriconazole EP Impurity D (VoriconazoleEnantiomer)
Voriconazole Impurity 15(Voriconazole EP Impurity D)
Voriconazole EP Impurity D-d3 (Voriconazole Enantiomer-d3)
Voriconazole EP Impurity D/ Voriconazole Related Compound B (Voriconazole Enantiomer)
(αS,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-Methyl-α-(1H-1,2,4-triazol-1-ylMethyl)-4-pyriMidineethanol
(2RS,3RS)-α-(2,4-Difluorophrnyl)-5-fluoro-β-menthyl-α-(1H-1,2,4-triazol-1-ylmenthyl)-4-pyrimidineethanol
4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αS,βR)-
Voriconazole Related Compound B ((2S, 3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1 (1718020)
(alphaS,betaR)-alpha-(2,4-Difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
[Molecular Formula]

C16H14F3N5O
[MOL File]

137234-63-0.mol
[Molecular Weight]

349.31
Chemical PropertiesBack Directory
[Melting point ]

130-132°C
[Boiling point ]

508.6±60.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

11.54±0.29(Predicted)
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16-/s3
[InChIKey]

BCEHBSKCWLPMDN-OHNRHGLTNA-N
[SMILES]

C([n]1ncnc1)[C@@](O)(c1ccc(F)cc1F)[C@@H](C)c1c(F)cncn1 |&1:6,16,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[HS Code ]

2933997500
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

The (2S,3R) enantiomer in Voriconazole (V760000) drug substance.
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