Analyte Name

Cetirizine 3-Chloro Impurity Dihydrochloride-d4

Molecular Formula

C21H21D4ClN2O3 • 2HCl

Molecular Weight

465.85

Accurate Mass

464.14

SMILES

ClC1=CC(C(N2CCN(CC2)C([2H])(C([2H])(OCC(O)=O)[2H])[2H])C3=CC=CC=C3)=CC=C1.Cl.Cl

InChI

InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-4-7-18(15-19)21(17-5-2-1-3-6-17)24-11-9-23(10-12-24)13-14-27-16-20(25)26;;/h1-8,15,21H,9-14,16H2,(H,25,26);2*1H/i13D2,14D2;;

IUPAC

2-(2-(4-((3-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy-1,1,2,2-d4)acetic acid dihydrogen chloride

Unlabelled CAS Number

1232460-29-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat