Aripiprazole N1-Oxide

Base Information

• Chemical Name: Aripiprazole N1-Oxide
• CAS No.: 573691-09-5
• Molecular Formula: C23H27Cl2N3O3
• Molecular Weight: 464.38500
• Hs Code.: 2933790002
• UNII: 5NO9KAA6QP
• DSSTox Substance ID: DTXSID00437791
• Wikidata: Q82253353
• Mol file: 573691-09-5.mol

Synonyms:573691-09-5;Aripiprazole N1-Oxide;Aripiprazole N-Oxide;Aripiprazole-d8N1-Oxide;5NO9KAA6QP;4-(2,3-Dichlorophenyl)-1-(4-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy)butyl)piperazine 1-oxide;7-[4-[4-(2,3-dichlorophenyl)-1-oxidopiperazin-1-ium-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;7-[4-[4-(2,3-Dichlorophenyl)-1-oxido-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone;2(1H)-Quinolinone, 7-(4-(4-(2,3-dichlorophenyl)-1-oxido-1-piperazinyl)butoxy)-3,4-dihydro-;7-(4-(4-(2,3-Dichlorophenyl)-1-oxido-1-piperazinyl)butoxy)-3,4-dihydro-2(1H)-quinolinone;7-[4-[4-(2,3-Dichlorophenyl)-1-oxidopiperazin-1-yl]butoxy]-3,4-dihydroquinolin-2(1H)-one (Aripiprazole N-Oxide);Aripiprazole impurity F;UNII-5NO9KAA6QP;Aripiprazole EP Impurity F;DTXSID00437791;BCP33835;USP Aripiprazole Related Compound F;CS-O-06105;AS-78442;ARIPIPRAZOLE IMPURITY F [EP IMPURITY];CS-0166548;FT-0662281;Aripiprazole USP RC F;A1-03010;4-(2,3-dichlorophenyl)-1-(4-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy)butyl)piperazine 1-oxide? (Aripiprazole Impurity;4-(2,3-Dichlorophenyl)-1-(4-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy)butyl)piperazine1-oxide;4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl}piperazin-1-ium-1-olate;4-(2,3-Dichlorophenyl)-1-(4-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yloxy)butyl) piperazine 1-oxide

Chemical Property of Aripiprazole N1-Oxide

Chemical Property:

• Melting Point: >175°C (dec.)
• PKA: 14.41±0.20(Predicted)
• PSA: 74.49000
• LogP: 4.98080
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 463.1429471
• Heavy Atom Count: 31
• Complexity: 603

Purity/Quality:

99%, ^*data from raw suppliers

Aripiprazole N1-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCC[N+]3(CCN(CC3)C4=C(C(=CC=C4)Cl)Cl)[O-]
• Uses: Aripiprazole N1-Oxide (Aripiprazole EP Impurity F) is a metabolite of anti-psychotic drug, Aripiprazole (A771000).