Analyte Name

3-[2-[4-[(Z)-(4-Fluoro-2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)phenyl](hydroxyimino)methyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one-d4

Molecular Formula

C35H36D4F2N6O4

Molecular Weight

650.75

Accurate Mass

650.33

SMILES

O=C1N2CCCC(O)C2=NC(C)=C1C([2H])([2H])C([2H])([2H])N3CCC(/C(C4=C(N5CCC(C6=NOC7=C6C=CC(F)=C7)CC5)C=C(F)C=C4)=N\O)CC3

InChI

InChI=1S/C35H40F2N6O4/c1-21-26(35(45)43-13-2-3-30(44)34(43)38-21)12-16-41-14-8-22(9-15-41)32(39-46)27-6-4-24(36)19-29(27)42-17-10-23(11-18-42)33-28-7-5-25(37)20-31(28)47-40-33/h4-7,19-20,22-23,30,44,46H,2-3,8-18H2,1H3/b39-32+/i12D2,16D2

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-1,1,2,2-d4)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat