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Merck

Q3638

Quetiapine hemifumarate salt

≥98% (HPLC), serotonin (5HT2) and dopamine (D2) receptor antagonist, powder

Synonym(s):

2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol hemifumarate, Quetiapine fumarate

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About This Item

Empirical Formula (Hill Notation):
C21H25N3O2S · 0.5C4H4O4
CAS Number:
111974-72-2
Molecular Weight:
441.54
UNSPSC Code:
12352200
PubChem Substance ID:
329823864
NACRES:
NA.77
MDL number:
MFCD03423782
Assay:
≥98% (HPLC)
Form:
powder
Quality level:
100
Storage condition:
desiccated

Key Documents

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Product Name

Quetiapine hemifumarate salt, ≥98% (HPLC)

SMILES string

OC(=O)\C=C\C(O)=O.OCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24.OCCOCCN5CCN(CC5)C6=Nc7ccccc7Sc8ccccc68

InChI key

ZTHJULTYCAQOIJ-WXXKFALUSA-N

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+

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to off-white

solubility

DMSO: >10 mg/mL

originator

AstraZeneca

storage temp.

2-8°C

Quality Level

100

Gene Information

human ... DRD2(1813), HTR2A(3356), HTR2C(3358)

Related Categories

General description

Quetiapine is a derivative of dibenzothiazepine compound and is also referred to as seroquel and clemastine.

Application

Quetiapine hemifumarate salt has been used as an antagonist for β-arrestin 2 mutant T205M recruitment.

Biochem/physiol Actions

Quetiapine hemifumarate is a combined serotonin (5HT2) and dopamine (D2) receptor antagonist.
Quetiapine hemifumarate is an atypical antipsychotic, a combined serotonin (5HT2) and dopamine (D2) receptor antagonist.
Quetiapine promotes oligodendrogenesis in vitro. It is used in treating depressive disorders.

Features and Benefits

This compound is featured on the Dopamine Receptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.
This compound was developed by AstraZeneca. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H302,H400

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000390408
0000390408
0000233389
0000233389
0000414432

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Schott JT, et al.
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Annals of allergy, asthma & immunology : official publication of the American College of Allergy, Asthma, & Immunology, 97(6), 717-730 (2007-01-05)
To review and compare previously reported cases of selective IgM immunodeficiency (SIgMID) with the largest adult cohort obtained from a retrospective analysis of an allergy and immunology practice. Publications were selected from the English-only PubMed database (1966-2005) using the following
María E Terrón-Díaz et al.
The Journal of biological chemistry, 294(50), 19279-19291 (2019-11-05)
The D2 dopamine receptor and the serotonin 5-hydroxytryptamine 2A receptor (5-HT2A) are closely-related G-protein-coupled receptors (GPCRs) from the class A bioamine subfamily. Despite structural similarity, they respond to distinct ligands through distinct downstream pathways, whose dysregulation is linked to depression
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