(αS,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
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(αS,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
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CAS No:
137234-63-0
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Formula:
C16H14F3N5O
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Chemical Name:
(αS,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
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Synonyms:
4-Pyrimidineethanol,α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-,(αS,βR)-;4-Pyrimidineethanol,α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-,[S-(R*,S*)]-;(αS,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol;1240507-17-8
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CAS No:
(αS,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol Basic Attributes
349.3104696
349.31
1Y58LNV43M
DTXSID60160114
2933997500
Characteristics
76.7
1.5
1.42±0.1 g/cm3(Predicted)
130-132°C
508.6±60.0 °C(Predicted)
261.4±32.9 °C
1.617
-20°C Freezer
(αS,βR)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol Use and Manufacturing
The (2S,3R) enantiomer in Voriconazole (V760000) drug substance.
Computed Properties
Molecular Weight:349.31
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:349.11504457
Monoisotopic Mass:349.11504457
Topological Polar Surface Area:76.7
Heavy Atom Count:25
Complexity:448
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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