rac Cetirizine N-Oxide > 90% by HPLC(Mixture of Diastereomers)

Analyte Name

Cetirizine N-Oxide

CAS Number

1076199-80-8

Molecular Formula

C21 H25 Cl N2 O4

Molecular Weight

404.89

Accurate Mass

404.1503

SMILES

OC(=O)COCC[N+]1([O-])CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3

InChI

InChI=1S/C21H25ClN2O4/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)23-10-12-24(27,13-11-23)14-15-28-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)

IUPAC

2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-oxidopiperazin-1-ium-1-yl]ethoxy]acetic acid

Alternate CAS Number

(R)-isomer: 442863-80-1

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Cetirizine Hydrochloride