Products 2001051-99-4

CAS 2001051-99-4 is the registry number for Isavuconazole Impurity 63. Offered by: Chemat Brand. Available pack sizes: on request.

Isavuconazole Impurity 63
Chemat Brand
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Structural formula: {0} (CAS {1})

(2S,3S)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile (CAS 2001051-99-4) is a chemical compound with the molecular formula C13H12F2N4O and a molecular weight of 278.26 g/mol. IUPAC name: (2S,3S)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile. InChIKey: SYSUFNUKZJVPBI-ZANVPECISA-N.

Identity
Molecular formulaC13H12F2N4O
Molecular weight278.26 g/mol
IUPAC name(2S,3S)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile
InChIKeySYSUFNUKZJVPBI-ZANVPECISA-N
SMILESC[C@@H](C#N)[C@@](CN1C=NC=N1)(C2=C(C=CC(=C2)F)F)O

Computed by PubChem (NCBI)

Synonyms: Isavuconazole Impurity 2
Related forms of this compound
(2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile C13H12F2N4O
(2R,3S)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile C13H12F2N4O
(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile C13H12F2N4O
(2R,3S)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile C13H12F2N4O
Isomers (same molecular formula)
(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile C13H12F2N4O