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Product Overview

Product Code

TRC-Q510003

CAS Number

1331636-50-0

Product Format

Neat

Molecular Formula

C21 D4 H21 N3 O2 S . C4 H4 O4

Molecular Weight

503.60391

API Family

Quetiapine Fumarate

Product Categories

Impurity Reference Materials , Stable Isotope Labelled Analytical Standards, Stable Isotope Labelled Reference Materials, Antipsychotics, Antipsychotics, TRC, Antipsychotics, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Quetiapine-d4 Fumarate

CAS Number

1331636-50-0

Molecular Formula

C21 D4 H21 N3 O2 S . C4 H4 O4

Molecular Weight

503.60391

Accurate Mass

503.2028

SMILES

C(=CC(O)=O)C(O)=O.C(C(OCCO)([2H])[2H])(N1CCN(C=2C=3C(SC=4C(N2)=CC=CC4)=CC=CC3)CC1)([2H])[2H]

InChI

InChI=1S/C21H25N3O2S.C4H4O4/c25-14-16-26-15-13-23-9-11-24(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/h1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/i13D2,15D2;

IUPAC

2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-1,1,2,2-tetradeuterio-ethoxy]ethanol;but-2-enedioic acid

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 Fumarate

Purity

>95% (HPLC)

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Quetiapine-d4 Fumarate

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