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rac Cetirizine N-Oxide-[d8]

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General Information
Catalog: BLP-003997
CAS: 1216444-13-1
Molecular Formula: C21H17D8ClN2O4
Molecular Weight: 412.94

Chemical Structure

Description	Rac Cetirizine N-Oxide-[d8] is a labelled metabolite of Cetirizine.
Synonyms	[2-[4-(4-Chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl-d8]ethoxy]acetic Acid
IUPAC Name	2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-2,2,3,3,5,5,6,6-octadeuterio-1-oxidopiperazin-1-ium-1-yl]ethoxy]acetic acid
Related CAS	1076199-80-8 (unlabelled)
Canonical SMILES	C1C[N+](CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)(CCOCC(=O)O)[O-]
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)/i10D2,11D2,12D2,13D2
InChI Key	IVDOUUOLLFEMJQ-BGKXKQMNSA-N
Purity	99%
Storage	Hygroscopic,-20°C, Under inert atmosphere