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7-Hydroxy Quetiapine-[d8]

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General Information
Catalog: BLP-007917
CAS: 1185098-57-0
Molecular Formula: C21H17D8N3O3S
Molecular Weight: 407.56

Chemical Structure

Description	7-Hydroxy Quetiapine-[d8] is the labelled analogue of 7-Hydroxy 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	11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl-d8]-dibenzo[b,f][1,4]thiazepin-7-ol; ICI214227-d8; 7-Hydroxy Quetiapine-d8
IUPAC Name	6-[2,2,3,3,5,5,6,6-octadeuterio-4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol
Related CAS	139079-39-3 (unlabelled)
Canonical SMILES	C1CN(CCN1CCOCCO)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42
InChI	InChI=1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2/i7D2,8D2,9D2,10D2
InChI Key	VEGVCHRFYPFJFO-UFBJYANTSA-N
Melting Point	65-67°C
Purity	98%; ≥99% atom D
Solubility	Soluble in Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance	Pale Yellow Solid
Storage	Store at -20°C under inert atmosphere