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Product Overview

Product Code

TRC-Q510030

CAS Number

329216-63-9

EP Description

Quetiapine EP Impurity S

Product Format

Neat

Molecular Formula

C21 H25 N3 O3 S

Molecular Weight

399.51

API Family

Quetiapine, Quetiapine Fumarate

Product Categories

TRC, Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Neurology Research Chemicals and Analytical Standards, Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials , Impurity Reference Materials

Product Type

Impurity, Metabolite, API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Quetiapine Sulfoxide

CAS Number

329216-63-9

Molecular Formula

C21 H25 N3 O3 S

Molecular Weight

399.51

Accurate Mass

399.1617

SMILES

OCCOCCN1CCN(CC1)C2=Nc3ccccc3S(=O)c4ccccc24

InChI

InChI=1S/C21H25N3O3S/c25-14-16-27-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)28(26)20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2

IUPAC

2-[2-[4-(11-oxobenzo[b][1,4]benzothiazepin-6-yl)piperazin-1-yl]ethoxy]ethanol

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Quetiapine; Quetiapine Fumarate

Purity

>95% (HPLC)

Product Description

Quetiapine Sulfoxide (Quetiapine EP Impurity S) is a metabolite of Quetiapine, which is used as an antipsychotic.

References: Onrust, S., et al.: CNS Drugs, 15, 329

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