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Quetiapine-[d8] Fumarate

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General Information
Catalog: BLP-003952
CAS: 1185247-12-4
Molecular Formula: C25H21D8N3O6S
Molecular Weight: 507.63

Chemical Structure

Description	Quetiapine-[d8] Fumarate, is the labelled analogue of Quetiapine. Quetiapine is an atypical antipsychotic medication used for the treatment of schizophrenia, bipolar disorder, and major depressive disorder.
Synonyms	Quetiapine-D8 Fumarate
IUPAC Name	2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid
Related CAS	773058-82-5 (unlabelled)
Canonical SMILES	C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O
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)/b;2-1+/i9D2,10D2,11D2,12D2;
InChI Key	VRHJBWUIWQOFLF-SMODUGIXSA-N
Melting Point	166-168°C
Purity	97% by CP; 98% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	White Solid
Storage	Store at-20°C, Under inert atmosphere