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Product Overview

Product Code

TRC-H953227

CAS Number

1185098-57-0

Product Format

Neat

Molecular Formula

C21H17D8N3O3S

Molecular Weight

407.56

API Family

Quetiapine

Product Categories

Antipsychotics, TRC, Antipsychotics, Impurity Reference Materials , Antipsychotics, Dopamine receptors, Neurotransmission, Addiction, Alzheimer's, Depression, Huntington's, Parkinson's, Schizophrenia, Stress and Anxiety, Pain and Inflammation, Stable isotopes, Stable Isotope Labelled Analytical Standards, Neurology Research Chemicals and Analytical Standards

Product Type

Stable Isotope Labelled, Metabolite, Bioactive Small Molecule

Unlabelled CAS Number

139079-39-3

Drug Type

Antipsychotics

Documentation

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Product Information

Chemical Data

Analyte Name

7-Hydroxy Quetiapine-d8

CAS Number

1185098-57-0

Molecular Formula

C21H17D8N3O3S

Molecular Weight

407.56

Accurate Mass

407.2119

SMILES

OC1=CC=C2N=C(N3C([2H])([2H])C([2H])([2H])N(CCOCCO)C([2H])([2H])C3([2H])[2H])C4=C(C=CC=C4)SC2=C1

InChI

InChI=1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2/i7D2,8D2,9D2,10D2

IUPAC

6-[2,2,3,3,5,5,6,6-octadeuterio-4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol

Unlabelled CAS Number

139079-39-3

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Quetiapine

Product Description

A metabolite of Quetiapine, a Benzothiazepine with mixed serotonin and dopamine receptor antagonistic properties used as an antipsychotic.

References: Newton, D., et al.: Drug Metab. Dispos., 23, 154

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