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(αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid-[d3]

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General Information
Catalog: BLP-006223
CAS: 1329610-75-4
Molecular Formula: C13H10D3F2N3O3
Molecular Weight: 300.28

Chemical Structure

Description	(αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid-[d3] is the labelled analogue of (αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid, which is an intermediate in the preparation of Albaconazole.
Synonyms	(αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid-d3; [R-(R,R)]-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid-d3; (alphaR,betaR)-beta-(2,4-Difluorophenyl)-beta-hydroxy-alpha-methyl-1H-1,2,4-triazole-1-butanoic Acid-d3; (2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanoic acid-d3
IUPAC Name	(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)-2-(trideuteriomethyl)butanoic acid
Related CAS	166948-49-8 (unlabelled)
Canonical SMILES	CC(C(=O)O)C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O
InChI	InChI=1S/C13H13F2N3O3/c1-8(12(19)20)13(21,5-18-7-16-6-17-18)10-3-2-9(14)4-11(10)15/h2-4,6-8,21H,5H2,1H3,(H,19,20)/t8-,13+/m0/s1/i1D3
InChI Key	QUOMTGYGYQRSMC-JSFBOPGTSA-N
Purity	98%
Solubility	Soluble in DMSO, Ethyl Acetate, Methanol
Appearance	White Solid