Analyte Name

(E)-4-(4-(4-Chlorophenyl-2,3,5,6-d4)-4-hydroxypiperidin-1-yl-2,2,6,6-d4)-1-(4-fluorophenyl)but-2-en-1-one

Molecular Formula

C21 D8 H13 Cl F N O2

Molecular Weight

381.898

Accurate Mass

381.175

SMILES

[2H]c1c([2H])c(c([2H])c([2H])c1Cl)C2(O)CC([2H])([2H])N(C\C=C\C(=O)c3ccc(F)cc3)C([2H])([2H])C2

InChI

InChI=1S/C21H21ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h1-10,26H,11-15H2/b2-1+/i5D,6D,7D,8D,14D2,15D2

IUPAC

(E)-4-[4-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,6,6-tetradeuterio-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)but-2-en-1-one

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat