Analyte Name

Cinnarizine-d8 Glucuronide

Molecular Formula

C32 D8 H29 N2 O6

Molecular Weight

553.695

Accurate Mass

553.315

SMILES

[2H]C1([2H])N(C(c2ccccc2)c3ccccc3)C([2H])([2H])C([2H])([2H])[N+](C\C=C\c4ccccc4)([C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)C1([2H])[2H]

InChI

InChI=1S/C32H36N2O6/c35-27-28(36)30(32(38)39)40-31(29(27)37)34(20-10-13-23-11-4-1-5-12-23)21-18-33(19-22-34)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26-31,35-37H,18-22H2/p+1/b13-10+/t27-,28-,29+,30-,31+/m0/s1/i18D2,19D2,21D2,22D2

IUPAC

(2S,3S,4S,5R,6R)-6-[4-benzhydryl-2,2,3,3,5,5,6,6-octadeuterio-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat