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Product Overview

Product Code

TRC-Q510002

CAS Number

1185247-12-4

Product Format

Neat

Molecular Formula

2 C21 2H8 H17 N3 O2 S . C4 H4 O4

Molecular Weight

899.18

API Family

Quetiapine, Quetiapine Fumarate

Product Categories

TRC, Antipsychotics, Antipsychotics, Pharmaceutical Reference Standards, 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

Bioactive small molecule, Stable Isotope Labelled

Unlabelled CAS Number

773058-82-5

Purity

>95% (HPLC)

Drug Type

Antipsychotics

Documentation

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Product Information

Chemical Data

Analyte Name

Quetiapine-D8 hemifumarate

CAS Number

1185247-12-4

Molecular Formula

2 C21 2H8 H17 N3 O2 S . C4 H4 O4

Molecular Weight

899.18

Accurate Mass

898.4449

SMILES

[2H]C1([2H])N(CCOCCO)C([2H])([2H])C([2H])([2H])N(C2=Nc3ccccc3Sc4ccccc24)C1([2H])[2H].[2H]C5([2H])N(CCOCCO)C([2H])([2H])C([2H])([2H])N(C6=Nc7ccccc7Sc8ccccc68)C5([2H])[2H].OC(=O)\C=C\C(=O)O

InChI

InChI=1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+/i2*9D2,10D2,11D2,12D2;

IUPAC

2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid

Unlabelled CAS Number

773058-82-5

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Quetiapine; Quetiapine Fumarate

Purity

>95% (HPLC)

Product Description

Labelled Quetiapine (Q510000). Used as an antipsychotic.

References: Wetzel, H., et al.: Psychopharmacology, 119, 231 (1995)

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Quetiapine-d8 Fumarate

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