Aripiprazole N,N-Dioxide

Base Information

• Chemical Name: Aripiprazole N,N-Dioxide
• CAS No.: 573691-13-1
• Molecular Formula: C23H27Cl2N3O4
• Molecular Weight: 480.38418
• DSSTox Substance ID: DTXSID40436809
• Mol file: 573691-13-1.mol

Synonyms:Aripiprazole N,N-Dioxide;573691-13-1;Aripiprazole-d8N,N-Dioxide;7-[4-[4-(2,3-dichlorophenyl)-1,4-dioxidopiperazine-1,4-diium-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;Aripiprazole N, N Dioxide;DTXSID40436809;CS-O-07240;FT-0662280

Chemical Property of Aripiprazole N,N-Dioxide

Chemical Property:

• PKA: 14.41±0.20(Predicted)
• PSA: 100.68000
• LogP: 5.01430
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 479.1378617
• Heavy Atom Count: 32
• Complexity: 647

Purity/Quality:

97% ^*data from raw suppliers

Aripiprazole N,N-dioxide ^*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(CC[N+](CC3)(C4=C(C(=CC=C4)Cl)Cl)[O-])[O-]
• Uses: Aripiprazole N,N-Dioxide is a metabolite of anti-psychotic drug, Aripiprazole (A771000).