Aripiprazole N,N-Dioxide

Analyte Name

Aripiprazole N,N-Dioxide

CAS Number

573691-13-1

Molecular Formula

C23 H27 Cl2 N3 O4

Molecular Weight

480.38

Accurate Mass

497.1379

SMILES

[O-][N+]1(CCCCOc2ccc3CCC(=O)Nc3c2)CC[N+]([O-])(CC1)c4cccc(Cl)c4Cl

InChI

InChI=1S/C23H27Cl2N3O4/c24-19-4-3-5-21(23(19)25)28(31)13-11-27(30,12-14-28)10-1-2-15-32-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)

IUPAC

7-[4-[4-(2,3-dichlorophenyl)-1,4-dioxido-piperazine-1,4-diium-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Aripiprazole

Purity

>95% (HPLC)