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Aripiprazole N4-Oxide-[d8]

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General Information
Catalog: BLP-013851
CAS: 1346600-39-2
Molecular Formula: C23H19D8Cl2N3O3
Molecular Weight: 472.43

Chemical Structure

Description	Aripiprazole N4-Oxide-[d8] is the labelled analogue of Aripiprazole N4-Oxide, which is a metabolite of anti-psychotic drug, Aripiprazole.
Synonyms	Aripiprazole-d8 N4-Oxide; 7-[4-[4-(2,3-Dichlorophenyl)-4-oxido-1-piperazinyl-d8]butoxy]-3,4-dihydro-2(1H)-quinolinone
IUPAC Name	7-[1,1,2,2,3,3,4,4-octadeuterio-4-[4-(2,3-dichlorophenyl)-4-oxidopiperazin-4-ium-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Related CAS	573691-11-9 (unlabelled)
Canonical SMILES	C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CC[N+](CC3)(C4=C(C(=CC=C4)Cl)Cl)[O-]
InChI	InChI=1S/C23H27Cl2N3O3/c24-19-4-3-5-21(23(19)25)28(30)13-11-27(12-14-28)10-1-2-15-31-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)/i1D2,2D2,10D2,15D2
InChI Key	FDTVYHFBHZGERN-BQLKVSHCSA-N
Purity	≥95%
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Off-white Solid
Storage	Store at -20°C under inert atmosphere