Name: 1,4-Bis[3,4-dihydro-2(1H)-quinolinon-7-oxy]butane-[d8]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-006281

CAS: 1346599-01-6

Molecular Formula: C22H16D8N2O4

Molecular Weight: 388.49

Chemical Structure

Description	1,4-Bis[3,4-dihydro-2(1H)-quinolinon-7-oxy]butane-[d8] is the labelled analogue of 1,4-Bis[3,4-dihydro-2(1H)-quinolinon-7-oxy]butane, which is an impurity found in the process for the preparation of Aripiprazole.
Synonyms	1,4-Bis[3,4-dihydro-2(1H)-quinolinon-7-oxy]butane-d8; 7,7'-[1,4-(Butane-d8)diylbis(oxy)]bis[3,4-dihydro-2(1H)-quinolinone; Aripiprazole Impurity D-d8
IUPAC Name	7-[1,1,2,2,3,3,4,4-octadeuterio-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butoxy]-3,4-dihydro-1H-quinolin-2-one
Related CAS	882880-12-8 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C([2H])([2H])C([2H])([2H])OC1=CC2=C(CCC(=O)N2)C=C1)C([2H])([2H])OC3=CC4=C(CCC(=O)N4)C=C3
Canonical SMILES	C1CC(=O)NC2=C1C=CC(=C2)OCCCCOC3=CC4=C(CCC(=O)N4)C=C3
InChI	InChI=1S/C22H24N2O4/c25-21-9-5-15-3-7-17(13-19(15)23-21)27-11-1-2-12-28-18-8-4-16-6-10-22(26)24-20(16)14-18/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,23,25)(H,24,26)/i1D2,2D2,11D2,12D2
InChI Key	HYDKRRWQLHXDEN-MMBGVTJSSA-N
Melting Point	216-219°C
Purity	≥90%
Solubility	Soluble in DMSO, Methanol
Appearance	White Solid
Storage	Store at 2-8°C