API reference

Quetiapine fumarate

CAS number
111974-72-2
Molecular formula
C46H54N6O8S2
Molecular weight
883.1 g/mol
Quetiapine fumarate — 2D structure
2D structure (PubChem)

About this molecule

Quetiapine Fumarate is the fumarate salt form of quetiapine, a dibenzothiazepine derivative with antipsychotic property. Quetiapine fumarate antagonizes serotonin activity mediated by 5-HT 1A and 5-HT2 receptors. With a lower affinity, this agent also reversibly binds to dopamine D1 and D2 receptors in the mesolimbic and mesocortical areas of the brain leading to decreased psychotic effects, such as hallucinations and delusions. In addition, quetiapine fumarate also binds to other alpha-1, alpha-2 adrenergic and histamine H1 receptors.

Source: NCI Thesaurus (NCIt), via PubChem.

Identifiers

IUPAC name
bis(2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol);(E)-but-2-enedioic acid
InChIKey
ZTHJULTYCAQOIJ-WXXKFALUSA-N
SMILES
C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O
PubChem CID
5281025

Also known as

Quetiapine fumarate · Quetiapine hemifumarate · Seroquel XR · Utapine · ICI 204,636 · ZM 204,636 · Quetiapine (as fumarate) · FK947E

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