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N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine-[d8]

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General Information
Catalog: BLP-004942
CAS: 1189866-35-0
Molecular Formula: C17H9D8N3S
Molecular Weight: 303.45

Chemical Structure

Description	N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine-[d8] is the labelled analogue of N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine, which is a metabolite of Quetiapine. Quetiapine is an atypical antipsychotic used for the treatment of schizophrenia, bipolar disorder, and major depressive disorder.
Synonyms	N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine D8; 11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine-d8
IUPAC Name	6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)benzo[b][1,4]benzothiazepine
Related CAS	5747-48-8 (unlabelled)
Canonical SMILES	C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42
InChI	InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2/i9D2,10D2,11D2,12D2
InChI Key	JLOAJISUHPIQOX-PMCMNDOISA-N
Melting Point	>65°C (dec.)
Purity	≥95%; ≥99% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Off-white Solid
Storage	Store at -20°C