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573691-11-9

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573691-11-9 Structure

573691-11-9 Structure
IdentificationBack Directory
[Name]

Aripiprazole N4-Oxide
[CAS]

573691-11-9
[Synonyms]

Aripiprazole N4-Oxide
Aripiprazole Impurity 52
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
7-[4-[4-(2,3-Dichlorophenyl)-4-oxido-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone
2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-4-oxido-1-piperazinyl]butoxy]-3,4-dihydro-
7-[4-[4-(2,3-dichlorophenyl)-4-oxidopiperazin-4-ium-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
[Molecular Formula]

C23H27Cl2N3O3
[MDL Number]

MFCD27977677
[MOL File]

573691-11-9.mol
[Molecular Weight]

464.38
Chemical PropertiesBack Directory
[Melting point ]

>149°C (dec.)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

Off-White
[Major Application]

pharmaceutical small molecule
[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)
[InChIKey]

FDTVYHFBHZGERN-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC(OCCCCN3CC[N+]([O-])(C4=CC=CC(Cl)=C4Cl)CC3)=C2)CCC1=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

A metabolite of anti-psychotic drug, Aripiprazole (A771000).
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