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Aripiprazole N,N-Dioxide

Aripiprazole N,N-Dioxide structure

CAS No:
573691-13-1
Formula:
C23H27Cl2N3O4
Chemical Name:
Aripiprazole N,N-Dioxide
Synonyms:
Aripiprazole N,N-Dioxide;7-[4-[4-(2,3-dichlorophenyl)-1,4-dioxidopiperazine-1,4-diium-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;DTXSID40436809;ZINC38390494;FT-0662280
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Aripiprazole N,N-Dioxide Basic Attributes

Molecular Weight：

480.38418

Exact Mass：

479.138

DSSTox ID：

DTXSID40436809

Characteristics

PSA：

74.5

XLogP3：

3.3

Aripiprazole N,N-Dioxide Use and Manufacturing

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

Computed Properties

Molecular Weight:480.4
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:479.1378617
Monoisotopic Mass:479.1378617
Topological Polar Surface Area:74.5
Heavy Atom Count:32
Complexity:647
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes