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(R)-Cetirizine N-Oxide

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For Research Use Only | Not For Clinical Use
CATAPS442863801
CAS442863-80-1
Structure
SynonymsAcetic acid, 2-[2-[4-[(R)-(4-chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl]ethoxy]-, Acetic acid, [2-[4-[(R)-(4-chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl]ethoxy]- (9CI), Levocetirizine N-Oxide
IUPAC Name2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-oxidopiperazin-1-ium-1-yl]ethoxy]acetic acid
Molecular Weight404.89
Molecular FormulaC21H25ClN2O4
Canonical SMILESOC(=O)COCC[N+]1([O-])CCN(CC1)[C@H](c2ccccc2)c3ccc(Cl)cc3
InChIInChI=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
Accurate Mass404.1503
FormatNeat
SubcategoryChiral molecules
TypeMetabolite
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