Description

(αr,βr)-β-(2,4-Difluorophenyl)-β-Hydroxy-α-Methyl-1H-1,2,4-Triazole-1-Butanoic Acid-D3 is a deuterated isotopologue of a key triazole carboxylic acid derivative, serving as a critical intermediate in advanced pharmaceutical research and development. Its primary value lies in its use as a stable isotope-labeled internal standard for precise quantitative analysis in bioanalytical methods like LC-MS/MS, ensuring accurate pharmacokinetic and metabolic studies. This high-purity compound is essential for researchers and manufacturers in the pharmaceutical industry, particularly those developing and analyzing antifungal agents and other bioactive molecules where the parent scaffold is relevant.

Application

• Pharmaceutical Reference Standard: Acts as a certified internal standard for the accurate quantification of the non-deuterated active pharmaceutical ingredient (API) and its metabolites in complex biological matrices.
• Drug Metabolism and Pharmacokinetics (DMPK) Studies: Enables precise tracking of drug absorption, distribution, metabolism, and excretion (ADME) using mass spectrometry due to its isotopic label.
• Bioanalytical Method Development: Critical for developing and validating robust, sensitive, and specific LC-MS/MS assays for clinical and preclinical trials.
• Impurity Profiling and Characterization: Used as a tool to identify and quantify process-related impurities and degradation products during API manufacturing.
• Metabolite Identification: Aids in the structural elucidation of drug metabolites by providing a mass spectrometric reference point.
• Chemical Synthesis Research: Serves as a specialized building block for synthesizing deuterated drug candidates in medicinal chemistry programs.

Basic Information

Product Name	(αr,βr)-β-(2,4-Difluorophenyl)-β-Hydroxy-α-Methyl-1H-1,2,4-Triazole-1-Butanoic Acid-D3
CAS No.	1329610-75-4
Molecular Formula	C₁₄H₁₂D₃F₂N₃O₃
Molecular Weight	308.30 g/mol (approx.)
Synonyms	(2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanoic-3,3,3-d3 Acid; (2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoic-d3 Acid; Deuterated Fluconazole Related Compound D3; 1H-1,2,4-Triazole-1-butanoic-d3 Acid, β-(2,4-difluorophenyl)-β-hydroxy-α-methyl-, (αR,βR)-; (R,R)-Isotopologue of the Fluconazole Acid Metabolite.
EINECS	Contact for details

Quality Control

Our deuterated compounds are manufactured under strict quality systems to ensure high isotopic purity and chemical purity, critical for analytical applications. Each batch is characterized by advanced spectroscopic and chromatographic techniques, including NMR, HPLC, and LC-MS. A comprehensive Certificate of Analysis (COA) is provided, detailing specifications for assay, isotopic enrichment, and related substances. We support compliance with ICH Q2(R1) guidelines for analytical method validation where applicable.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed in a dry environment to prevent degradation. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (LC-MS)	≥ 99.0 atom % D
Chemical Purity (by HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.