Description

Diphenoxylate-D4 Hydrochloride CAS NO 61157-91-3 is a deuterated isotopologue of the antidiarrheal agent diphenoxylate hydrochloride, where four hydrogen atoms are replaced by deuterium. This stable-labeled compound is a critical reference standard and internal standard in quantitative bioanalytical chemistry, ensuring the accuracy and reliability of mass spectrometry-based assays. It is primarily required by pharmaceutical research laboratories, contract research organizations (CROs), and regulatory bodies for method development, validation, and pharmacokinetic studies related to diphenoxylate.

Application

• Pharmaceutical Reference Standard: Serves as a certified primary standard for calibrating analytical instruments and validating assay methods for diphenoxylate.
• Mass Spectrometry Internal Standard: Used as a stable isotope-labeled internal standard (SIL-IS) in LC-MS/MS and GC-MS analyses to correct for matrix effects and instrument variability, ensuring precise quantification of diphenoxylate in biological matrices.
• Drug Metabolism and Pharmacokinetics (DMPK) Studies: Essential for conducting accurate absorption, distribution, metabolism, and excretion (ADME) studies and bioequivalence testing.
• Forensic and Clinical Toxicology: Enables reliable detection and quantification of diphenoxylate in forensic investigations and clinical overdose cases.
• Regulatory Compliance and Method Development: Supports compliance with FDA, EMA, and ICH guidelines for bioanalytical method validation in new drug applications (NDAs).
• Quality Control in Manufacturing: Used in the in-process and final product testing of diphenoxylate-containing pharmaceutical formulations.

Basic Information

Product Name	Diphenoxylate-D4 Hydrochloride
CAS No.	61157-91-3
Molecular Formula	C30H28D4N2O2·HCl
Molecular Weight	489.08 g/mol (approx.)
Synonyms	1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester-d4 hydrochloride; Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate-d4 hydrochloride; 2,2-Diphenyl-4-(4-phenyl-4-piperidinocarbonyl)butyronitrile-d4 ethyl ester hydrochloride; Diphenoxylate-d4 HCl; Deuterated Diphenoxylate Hydrochloride; [2H4]-Diphenoxylate Hydrochloride
EINECS	Contact for details

Quality Control

Every batch of Diphenoxylate-D4 Hydrochloride is manufactured and analyzed under strict quality management systems. It undergoes comprehensive testing including NMR, HPLC, and mass spectrometry to confirm isotopic purity (D4 content), chemical purity, and identity. Our products are supplied with a comprehensive Certificate of Analysis (COA) detailing batch-specific results for isotopic enrichment, assay, and impurity profiles, supporting compliance with ICH Q2(R1) guidelines for analytical validation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); ensure the container is sealed under an inert atmosphere after each use to prevent degradation from moisture absorption.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (Mass Spectrometry)	Conforms to structure
Isotopic Purity (D4)	≥ 98.0 atom % D
Chemical Purity (HPLC)	≥ 98.0%
Single Maximum Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 1.5%
Residual Solvents (GC)	Complies with ICH Q3C
Water Content (KF)	≤ 0.5%

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