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Aripiprazole N1-Oxide-[d8]

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General Information
Catalog: BLP-013738
CAS: 1346600-34-7
Molecular Formula: C23H19D8Cl2N3O3
Molecular Weight: 472.43

Chemical Structure

Description	Aripiprazole N1-Oxide-[d8] is the labelled analogue of Aripiprazole N1-Oxide, which is a metabolite of Aripiprazole.
Synonyms	Aripiprazole-d8 N1-Oxide; Aripiprazole N-Oxide-d8; 7-[4-[4-(2,3-dichlorophenyl)-1-oxidopiperazin-1-ium-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one-d8; Aripiprazole related compound F-d8; 4-(2,3-Dichlorophenyl)-1-(4-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy)butyl)piperazine 1-oxide-d8; Aripiprazole EP Impurity F-d8; 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-oxido-1-piperazinyl-2,2,3,3,5,5,6,6-d8]butoxy]-3,4-dihydro-
IUPAC Name	7-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3-dichlorophenyl)-1-oxidopiperazin-1-ium-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Related CAS	573691-09-5 (unlabelled)
Canonical SMILES	C1CC(=O)NC2=C1C=CC(=C2)OCCCC[N+]3(CCN(CC3)C4=C(C(=CC=C4)Cl)Cl)[O-]
InChI	InChI=1S/C23H27Cl2N3O3/c24-19-4-3-5-21(23(19)25)27-10-13-28(30,14-11-27)12-1-2-15-31-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)/i10D2,11D2,13D2,14D2
InChI Key	ZNYNDJDSFMRJPS-BHMVLGHDSA-N
Purity	≥95%
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Off-white Solid
Storage	Store at 2-8°C under inert atmosphere