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182230-43-9

182230-43-9 Structure

182230-43-9 Structure
IdentificationBack Directory
[Name]

(2R,3S/2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
[CAS]

182230-43-9
[Synonyms]

N-1STEP
Voriconazole Impurity 1
Voriconazole Impurity 12
Voriconazole USP Related Compound A
4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-
( 2R.3S/2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyriMidinyl)-1-(1H-1,2,4-triazol-yl)-2-butanol
(2r,3s/2s,3r)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1h-1,2,4-triazol-1-yl)butan-2-ol
(2RS,3RS)-α-(2,4-Difluorophenyl)-5-fluoro-β-Methyl-α-(1H-1,2,4-triazol-1-ylMethyl)-4-pyriMidineethanol
Rel-(2R, 3S) -α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
(2r,3s/2s,3r)-3-(5-Fluoro-6-Pyrimidinyl)-2-(2,4-Difluorophenyl)-1-(1h-1,2,4-Triazol- 1-Yl)-2- Butanol Hydrochloride
[EINECS(EC#)]

605-961-5
[Molecular Formula]

C16H14F3N5O
[MDL Number]

MFCD20488064
[MOL File]

182230-43-9.mol
[Molecular Weight]

349.31
Chemical PropertiesBack Directory
[Melting point ]

123-128°C (dec.)
[Boiling point ]

508.6±60.0 °C(Predicted)
[density ]

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

2-8°C
[solubility ]

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

Solid
[pka]

11.54±0.29(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/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
[InChIKey]

BCEHBSKCWLPMDN-UHFFFAOYSA-N
[SMILES]

C(O)(CN1N=CN=C1)(C(C)C1=NC=NC=C1F)C1C=CC(F)=CC=1F
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2933997500
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

(2RS,3RS)α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol (Voriconazole USP Related Compound A), is a derivative of Voriconazole (V760000), which is a triazole antifungal medication that is generally used to treat serious fungal infections.
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