ChemicalBook--->CAS DataBase List--->137330-52-0

137330-52-0

137330-52-0 Structure

137330-52-0 Structure
IdentificationBack Directory
[Name]

rel-(R,R)-Voriconazole
[CAS]

137330-52-0
[Synonyms]

rel-(R,R)-Voriconazole
Voriconazole Impurity 28
Azilsartan medoxomil impurity318
(2R,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyriMidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
rel-(αR,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-Methyl-α-(1H-1,2,4-triazol-1-ylMethyl)-4-pyriMidineethanol
4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (R*,R*)- (9CI)
(2R,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol compound with (2S,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (1:1)
[Molecular Formula]

C16H14F3N5O
[MOL File]

137330-52-0.mol
[Molecular Weight]

349.31
Chemical PropertiesBack Directory
[Boiling point ]

508.6±60.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[solubility ]

Chloroform (Slightly), Methanol (Slightly, Sonicated)
[form ]

Solid
[pka]

11.54±0.29(Predicted)
[color ]

White to Off-White
[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|
Hazard InformationBack Directory
[Uses]

The (R,R)-enantiomer of Voriconazole. An antifungal (systemic). An ergosterol biosynthesis inhibitor.
Spectrum DetailBack Directory
[Spectrum Detail]

rel-(R,R)-Voriconazole(137330-52-0)1HNMR
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