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Aripiprazole-[d8] N,N-Dioxide

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General Information
Catalog: BLP-013629
CAS: 1346603-98-2
Molecular Formula: C23H19D8Cl2N3O4
Molecular Weight: 488.43

Chemical Structure

Description	Aripiprazole-[d8] N,N-Dioxide is a labelled metabolite of anti-psychotic drug, Aripiprazole.
Synonyms	7-[4-[4-(2,3-Dichlorophenyl)-1,4-dioxido-1-piperazinyl-d8]butoxy]-3,4-dihydro-2(1H)-quinolinone
IUPAC Name	7-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3-dichlorophenyl)-1,4-dioxidopiperazine-1,4-diium-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Related CAS	573691-13-1 (unlabelled)
Canonical SMILES	C1CC(=O)NC2=C1C=CC(=C2)OCCCC[N+]3(CC[N+](CC3)(C4=C(C(=CC=C4)Cl)Cl)[O-])[O-]
InChI	InChI=1S/C23H27Cl2N3O4/c24-19-4-3-5-21(23(19)25)28(31)13-11-27(30,12-14-28)10-1-2-15-32-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)/i11D2,12D2,13D2,14D2
InChI Key	QMMBGUILKWQHOA-FUEQIQQISA-N