Analyte Name

4-Defluoro-2-fluoro Haloperidol Decanoate-d19

Molecular Formula

C31 D19 H23 F N O3

Molecular Weight

514.786

Accurate Mass

514.434

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC1(CCN(CCCC(=O)c2ccccc2F)CC1)c3ccccc3

InChI

InChI=1S/C31H42FNO3/c1-2-3-4-5-6-7-11-20-30(35)36-31(26-15-9-8-10-16-26)21-24-33(25-22-31)23-14-19-29(34)27-17-12-13-18-28(27)32/h8-10,12-13,15-18H,2-7,11,14,19-25H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,11D2,20D2

IUPAC

[1-[4-(2-fluorophenyl)-4-oxobutyl]-4-phenylpiperidin-4-yl] 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecadeuteriodecanoate

Unlabelled CAS Number

1798004-21-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat