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Quetiapine Sulfoxide-[d8]

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General Information
Catalog: BLP-003950
CAS: 1330238-38-4
Molecular Formula: C21H17D8N3O3S
Molecular Weight: 407.56

Chemical Structure

Description	Quetiapine Sulfoxide-[d8], is the labelled analogue of Quetiapine Sulfoxide, which is a metabolite of Quetiapine. Quetiapine is an atypical antipsychotic medication used for the treatment of schizophrenia, bipolar disorder, and major depressive disorder.
Synonyms	2-[2-[4-(5-Oxidodibenzo[b,f][1,4]thiazepin-11-yl)-1-(piperazinyl-d8)]ethoxy]ethanol; Quetiapine Sulfoxide D8
IUPAC Name	2-[2-[2,2,3,3,5,5,6,6-octadeuterio-4-(11-oxobenzo[b][1,4]benzothiazepin-6-yl)piperazin-1-yl]ethoxy]ethanol
Related CAS	329216-63-9 (unlabelled)
Canonical SMILES	C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3S(=O)C4=CC=CC=C42
InChI	InChI=1S/C21H25N3O3S/c25-14-16-27-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)28(26)20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2/i9D2,10D2,11D2,12D2
InChI Key	FXJNLPUSSHEDON-PMCMNDOISA-N
Purity	98% by CP; 98% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	Pale Yellow to Yellow Low Melting Solid
Storage	Store at-20°C, Under inert atmosphere