(E)-1,5-seco-Isoxazolo,1H,5-(6-Fluoro-1,2-benzisoxazol-3-yl)-piperidin-1-yl] Risperidone

Analyte Name

(E)-1,5-seco-Isoxazolo,1H,5-(6-Fluoro-1,2-benzisoxazol-3-yl)-piperidin-1-yl] Risperidone

Molecular Formula

C35H40F2N6O3

Molecular Weight

620.74

Accurate Mass

630.31

SMILES

O=C1C(CCN2CCC(CC2)/C(C3=CC=C(C=C3N4CCC(CC4)C5=NOC6=C5C=CC(F)=C6)F)=N\O)=C(C)N=C7N1CCCC7

InChI

InChI=1S/C35H40F2N6O3/c1-22-27(35(44)43-14-3-2-4-32(43)38-22)13-17-41-15-9-23(10-16-41)33(39-45)28-7-5-25(36)20-30(28)42-18-11-24(12-19-42)34-29-8-6-26(37)21-31(29)46-40-34/h5-8,20-21,23-24,45H,2-4,9-19H2,1H3/b39-33+

IUPAC

(E)-3-(2-(4-((4-fluoro-2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)phenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Country of Origin

CANADA

Product Format

Neat