Analyte Name

4-[4-(4-Chlorophenyl)-4-hydroxypiperidine]-4-defluorohaloperidol Decanoate-d19

Molecular Formula

C42 D19 H35 Cl2 N2 O4

Molecular Weight

740.912

Accurate Mass

739.465

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)c2ccc(cc2)N3CCC(O)(CC3)c4ccc(Cl)cc4)CC1)c5ccc(Cl)cc5

InChI

InChI=1S/C42H54Cl2N2O4/c1-2-3-4-5-6-7-8-11-40(48)50-42(35-16-20-37(44)21-17-35)26-29-45(30-27-42)28-9-10-39(47)33-12-22-38(23-13-33)46-31-24-41(49,25-32-46)34-14-18-36(43)19-15-34/h12-23,49H,2-11,24-32H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,11D2

IUPAC

[4-(4-chlorophenyl)-1-[4-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-oxobutyl]piperidin-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

1797008-46-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat