Description

(S)-Citalopram-D6 n-Oxide is a deuterated, oxidized derivative of the selective serotonin reuptake inhibitor (SSRI) citalopram. This compound is of critical importance as a high-purity reference standard and an advanced intermediate in pharmaceutical research and development. It is primarily needed by analytical laboratories, contract research organizations (CROs), and pharmaceutical companies engaged in metabolite studies, pharmacokinetic research, and the synthesis of novel therapeutic agents.

Application

• Pharmaceutical Reference Standard: Used as a certified reference material (CRM) for the quantification and identification of citalopram metabolites in biological matrices via LC-MS/MS and HPLC.
• Drug Metabolism and Pharmacokinetics (DMPK): Serves as a critical internal standard in mass spectrometry to ensure analytical accuracy in studies of drug absorption, distribution, metabolism, and excretion (ADME).
• Isotopic Labeling Studies: The deuterium (D6) labeling makes it invaluable for tracing metabolic pathways and conducting stable-isotope dilution analyses.
• Process Chemistry & Impurity Profiling: Employed as an analytical marker to monitor oxidation-related impurities during the manufacturing and quality control of citalopram and related compounds.
• Research Chemical: Utilized in academic and industrial R&D for investigating the structure-activity relationships (SAR) of SSRIs and their metabolites.

Basic Information

Product Name	(S)-Citalopram-D6 n-Oxide
CAS No.	1217710-65-0
Molecular Formula	C20H15D6FN2O2
Molecular Weight	337.42 g/mol
Synonyms	(S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-(trideuteriomethyl)isobenzofuran-D3-8-carbonitrile N-Oxide; (S)-Citalopram D6 N-Oxide; 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-5-[(2H3)methyl]-1,3-dihydro-2-benzofuran-D3-8-carbonitrile N-Oxide; Citalopram-D6 N-Oxide (S-enantiomer); Deuterated Citalopram N-Oxide; Citalopram Metabolite D6 Reference Standard
EINECS	Contact for details

Quality Control

Our (S)-Citalopram-D6 n-Oxide is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity, NMR and MS for structural confirmation, and chiral analysis to ensure enantiomeric excess. Certificates of Analysis (COA) detailing batch-specific results are provided to guarantee traceability and compliance with research-grade standards.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry, cool place. This product is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (HPLC)	≥ 99.0% ee
Isotopic Enrichment (D6)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Complies with ICH guidelines

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