Quetiapine fumarate

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For Research Use Only.

Category

Impurities

Cat.No.

NP3259

CAS

111974-72-2

Product Name

Quetiapine fumarate

Structure

Product Details

Description

Quetiapine Fumarate is an atypical antipsychotic used in the treatment of schizophrenia, bipolar I mania, bipolar II depression, bipolar I depression.

Synonyms

ICI-204636; ICI 204636; ICI204636

IUPAC Name

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

Molecular Weight

883.09

Molecular Formula

C46H54N6O8S2

Canonical SMILES

C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)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+

InChIKey

ZTHJULTYCAQOIJ-WXXKFALUSA-N

Melting Point

172-176°C

Flash Point

290.4ºC

Purity

>98%

Appearance

White to Off-White Solid

Application

Antidepressive Agents

Form

Powder

Hazard Class

Hazard Codes

T; F

HS Code

2934999090

RIDADR

UN 3295 3/PG 3

Risk Statements

R45; R10

RTECS

PC1075000

Safety Statements

S53; S45

Vapor Pressure

3.22E-13mmHg at 25°C

WGK Germany

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