Description

(3Ar-Trans)-5-Chloro-2,3,3A,12B-Tetrahydro-2-Methyl-1H-Dibenz[2,3:6,7]Oxepino[4,5-C]Pyrrole-13C,D3 β-D-Glucopyranosiduronic Acid is a high-purity, isotopically labeled reference standard and advanced pharmaceutical intermediate. This compound is of critical importance for metabolite identification, pharmacokinetic studies, and quantitative bioanalytical method development in drug discovery and development. It is primarily required by pharmaceutical R&D laboratories, CROs (Contract Research Organizations), and manufacturers of analytical standards for use in LC-MS and NMR applications.

Application

• Isotopically Labeled Internal Standard for precise and accurate quantification in Liquid Chromatography-Mass Spectrometry (LC-MS/MS) bioanalysis.
• Metabolite Reference Material for the identification and structural confirmation of drug metabolites in preclinical and clinical studies.
• Pharmacokinetic/Pharmacodynamic (PK/PD) Research to study the absorption, distribution, metabolism, and excretion (ADME) of parent drug compounds.
• Deuterium and 13C Tracer Studies in mechanistic metabolism research and metabolic pathway elucidation.
• High-Purity Chemical Intermediate for the synthesis of more complex labeled compounds or conjugates.
• Quality Control and Method Validation in regulatory-compliant analytical laboratories.

Basic Information

Product Name	(3Ar-Trans)-5-Chloro-2,3,3A,12B-Tetrahydro-2-Methyl-1H-Dibenz[2,3:6,7]Oxepino[4,5-C]Pyrrole-13C,D3 β-D-Glucopyranosiduronic Acid
CAS No.	1391745-10-0
Molecular Formula	Contact for details
Molecular Weight	Contact for details
Synonyms	5-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-13C,D3 β-D-glucopyranosiduronic acid; Deuterated and 13C-labeled glucuronide metabolite; Isotopologue of a dibenzoxepinopyrrole glucuronide; 13C,D3-Labeled drug metabolite; Stable isotope-labeled internal standard; High-purity reference standard CAS 1391745-10-0
EINECS	Contact for details

Quality Control

This high-value reference material is produced under strict quality control protocols to ensure isotopic purity, chemical purity, and structural integrity. Each batch is characterized using advanced analytical techniques including NMR (1H, 13C), High-Resolution Mass Spectrometry (HRMS), and HPLC. Certificates of Analysis (COA) are provided, detailing isotopic enrichment (Atom % 13C and D), chemical purity, and chromatographic data to support your regulatory submissions and research integrity.

Storage

Preserve in a tightly closed container, protected from light. For long-term stability, store at -20°C or below. This compound is hygroscopic (moisture-sensitive) and should be handled under inert atmosphere (e.g., nitrogen or argon) when opening to prevent degradation. Allow the vial to equilibrate to room temperature in a desiccator before opening.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (NMR)	Conforms to structure
Identification (HRMS)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Isotopic Purity (Atom % 13C)	≥ 99%
Isotopic Purity (Atom % D)	≥ 98% (D3)
Water Content (KF)	≤ 2.0%
Residual Solvents (GC)	Meets ICH guidelines

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