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Brexpiprazole-[piperazin-d8]

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General Information
Catalog: BLP-011818
CAS: 1427049-21-5
Molecular Formula: C25H19D8N3O2S
Molecular Weight: 441.63

Chemical Structure

Description	Brexpiprazole-[piperazin-d8] is the labelled analogue of Brexpiprazole. Brexpiprazole is a partial agonist of dopamine D2 receptor used as an atypical antipsychotic. It was approved by FDA for the treatment of schizophrenia.
Synonyms	Brexpiprazole-piperazin-D8; 7-[4-(4-(Benzo[b]thien-4-yl)-piperazin-1-yl)butoxy]-1H-quinolin-2-one-d8; Brexpiprazole-d8; 7-[4-[4-(1-Benzothiophen-4-yl)-2,2,3,3,5,5,6,6-d8-piperazin-1-yl]butoxy]-1H-quinolin-2-one
IUPAC Name	7-[4-[4-(1-benzothiophen-4-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]butoxy]-1H-quinolin-2-one
Related CAS	913611-97-9 (unlabelled)
Canonical SMILES	C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C5C=CSC5=CC=C4
InChI	InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)/i12D2,13D2,14D2,15D2
InChI Key	ZKIAIYBUSXZPLP-DHNBGMNGSA-N
Purity	>95%
Solubility	Soluble in Dichloromethane (Slightly), Chloroform (Slightly), Methanol (Slightly)
Appearance	Off-white Solid
Storage	Store at 2-8°C