Description

4-(Methyl-D3-Nitrosamino)-1-(3-Pyridyl)-1-Butanol is a deuterated isotopologue of the tobacco-specific nitrosamine metabolite NNAL, serving as a critical internal standard for precise analytical quantification. This compound is essential for ensuring accuracy and reliability in mass spectrometry-based assays, eliminating variability and enabling high-fidelity data. It is primarily needed by analytical laboratories, contract research organizations (CROs), and pharmaceutical companies engaged in toxicology, biomarker research, and regulatory compliance testing for tobacco-related compounds.

Application

• Internal Standard for LC-MS/MS: Primary use as a stable isotope-labeled internal standard for the quantification of NNAL (4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone) and related metabolites in complex biological matrices.
• Biomarker Research: Enables accurate measurement of tobacco-specific nitrosamine (TSNA) exposure in epidemiological and clinical studies.
• Toxicology and Pharmacokinetics: Critical for ADME (Absorption, Distribution, Metabolism, Excretion) studies of nitrosamines, supporting drug safety assessments.
• Regulatory Compliance Testing: Used in assays to verify compliance with limits for nitrosamine impurities in pharmaceuticals, as per FDA, EMA, and ICH M7(R2) guidelines.
• Method Development and Validation: Serves as a key reagent for developing, optimizing, and validating highly sensitive and specific analytical methods.
• Quality Control in Reference Material Production: Employed in the calibration and qualification of certified reference materials (CRMs) for nitrosamine analysis.

Basic Information

Product Name	4-(Methyl-D3-Nitrosamino)-1-(3-Pyridyl)-1-Butanol
CAS No.	1020719-61-2
Molecular Formula	C10H12D3N3O2
Molecular Weight	206.24 g/mol
Synonyms	NNAL-d3; 4-(Methyl-d3-nitrosamino)-1-(3-pyridinyl)-1-butanol; NNAL (Methyl-D3); (RS)-4-(Methyl-d3-nitrosamino)-1-(pyridin-3-yl)butan-1-ol; Deuterated NNAL; 4-(N-Methyl-d3-N-nitrosoamino)-1-(3-pyridyl)-1-butanol; Tobacco-specific nitrosamine metabolite-d3; 1-(3-Pyridyl)-4-(methyl-d3-nitrosamino)-1-butanol
EINECS	Contact for details

Quality Control

Our 4-(Methyl-D3-Nitrosamino)-1-(3-Pyridyl)-1-Butanol is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and mass spectrometry, to ensure high chemical and isotopic purity and batch-to-batch consistency suitable for sensitive analytical applications. A comprehensive Certificate of Analysis (COA) detailing purity, isotopic enrichment, and solvent content is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store at 2-8°C in a dry, cool place. This product is hygroscopic (moisture-sensitive). Allow the sealed vial to equilibrate to room temperature before opening to minimize moisture uptake.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC-MS)	Conforms
Identification (NMR)	Conforms
Purity (HPLC)	≥ 98.0%
Isotopic Enrichment	≥ 99.0 atom % D
Chemical Purity	≥ 95.0%
Water Content (KF)	≤ 1.0%
Solvent Content (Residual Solvents)	Meets ICH guidelines

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