Description

(3As)-3,3-Dideuterio-2-[(3S)-3-Deuterio-1-Azabicyclo[2.2.2]Octan-3-Yl]-3A,4,5,6-Tetrahydrobenzo[De]Isoquinolin-1-One:Hydrochloride is a high-purity, deuterated pharmaceutical intermediate and reference standard. This compound is critical for advanced research and development in medicinal chemistry, particularly in the study of metabolic pathways and pharmacokinetics using deuterium isotope effects. It is primarily utilized by pharmaceutical R&D teams and fine chemical manufacturers engaged in the synthesis of novel therapeutic agents and the production of isotopically labeled compounds for analytical and diagnostic applications.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of complex drug candidates and active pharmaceutical ingredients (APIs).
• Deuterated Reference Standard: Used in mass spectrometry (MS), nuclear magnetic resonance (NMR) spectroscopy, and other analytical techniques for method development, quantification, and metabolic studies.
• Metabolic Research: Enables the investigation of drug metabolism, stability, and absorption, distribution, metabolism, and excretion (ADME) profiles through deuterium labeling.
• Medicinal Chemistry Research: Supports structure-activity relationship (SAR) studies and the development of compounds with potentially improved efficacy and safety profiles.
• Isotope Labeling Production: Serves as a precursor for the manufacture of other deuterium-labeled compounds for research and diagnostic markets.

Basic Information

Product Name	(3As)-3,3-Dideuterio-2-[(3S)-3-Deuterio-1-Azabicyclo[2.2.2]Octan-3-Yl]-3A,4,5,6-Tetrahydrobenzo[De]Isoquinolin-1-One:Hydrochloride
CAS No.	1246816-81-8
Molecular Formula	C20H23D3ClN2O
Molecular Weight	348.92 g/mol (average)
Synonyms	3,3-Dideuterio-2-[(3S)-3-deuterio-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydrobenzo[de]isoquinolin-1-one hydrochloride; Deuterated Benzoisoquinolinone Derivative; (3aS)-3,3-dideuterio-2-[(3S)-3-deuterioquinuclidin-3-yl]-3a,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one hydrochloride
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. We provide comprehensive analytical data to support your research and manufacturing needs. Certificates of Analysis (COA) detailing purity, isotopic enrichment, and impurity profiles are available for every batch. Quality is assured through advanced analytical techniques including HPLC, NMR, and MS, meeting the stringent requirements for pharmaceutical intermediates and reference materials.

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 material is hygroscopic (moisture-sensitive) and should be handled under dry conditions to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC/MS)	Conforms
Purity (HPLC)	≥ 98.0%
Isotopic Enrichment (D-content, NMR/MS)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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