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Itraconazole hydroxy isobutyltriazolone impurity

Itraconazole hydroxy isobutyltriazolone impurity is a synthetic byproduct formed via oxidation of an isobutyl-substituted triazolone intermediate during itraconazole synthesis. It contains a 1H-1,2,4-triazol-1-one core linked to a chlorinated naphthalene ring system, with a hydroxylated isobutyl side chain branching from the triazolone nitrogen. The structure retains the parent drugโ€™s aromatic scaffold but incorporates an additional hydroxyl group and a modified aliphatic substituent at the triazole moiety. This impurity serves as an HPLC reference standard for quantifying oxidative degradation pathways in itraconazole API manufacturing.

On Request
Molecular Formula C14H15Cl2N3O5S
Molecular Weight 408.3000
CAS Number 67914-86-7 โœ“ Verified
PubChem CID 1900032 โ†—
Purity N/A
Product Type API Impurity
Parent Drug Itraconazole
Lead Time On Request
IUPAC Name [(2R,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
Official Reference Standards
Std Catalog # Quantity Price
USP 1A11100 โ†— 25 mg USD 325.00

๐Ÿ“ Synonyms

67914-86-7 T-1333 free base T2I5SBS81M 1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, 4-METHANESULFONATE, (2R,4R)-REL- RefChem:1052913 267-749-5 cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol methanesulfonate [(2R,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate MFCD06410887 cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate

๐Ÿ”ฌ Chemical Identifiers

CS(=O)(=O)OC[C@H]1CO[C@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI=1S/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3/t11-,14+/m1/s1
QIMASXGTWQEFGS-RISCZKNCSA-N

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