(R)-Cetirizine N-Oxide

Analyte Name

(R)-Cetirizine N-Oxide

CAS Number

442863-80-1

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@H](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)/t21-/m1/s1

IUPAC

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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat