Paliperidone N-Oxide

Analyte Name

3-{2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl) piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one N-oxide

CAS Number

761460-08-6

Molecular Formula

C23 H27 F N4 O4

Molecular Weight

442.48

Accurate Mass

442.2016

SMILES

CC1=C(CC[N+]2([O-])CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCC(O)C5=N1

InChI

InChI=1S/C23H27FN4O4/c1-14-17(23(30)27-9-2-3-19(29)22(27)25-14)8-12-28(31)10-6-15(7-11-28)21-18-5-4-16(24)13-20(18)32-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3

IUPAC

3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-oxidopiperidin-1-ium-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Impurity

Product Format

Neat

API Family

Risperidone