Analyte Name

Zavegepant (Piperazine-D8) Hydrochloride

Molecular Formula

C36H38D8N8O3.xHCl

Molecular Weight

646.9

SMILES

CC1=C2C(C=NN2)=CC(C[C@H](C(N3C(C(N(C(C3([2H])[2H])([2H])[2H])C4CCN(CC4)C)([2H])[2H])([2H])[2H])=O)NC(N5CCC(C6=CC7=C(C=CC=C7)NC6=O)CC5)=O)=C1

InChI

InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1/i15D2,16D2,17D2,18D2

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat