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Aripiprazole N4-Oxide

CAS No.:
573691-11-9
Catalog Number:
AG00EFBY
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EFBY
Chemical Name:
Aripiprazole N4-Oxide
CAS Number:
573691-11-9
MDL Number:
MFCD27977677
IUPAC Name:
7-[4-[4-(2,3-dichlorophenyl)-4-oxidopiperazin-4-ium-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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)
InChI Key:
FDTVYHFBHZGERN-UHFFFAOYSA-N
Properties
Complexity:
603  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.143g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
464.387g/mol
Monoisotopic Mass:
463.143g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties