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tert-Butyl Cetirizine-[d8]

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General Information
Catalog: BLP-013709
CAS: 1189466-71-4
Molecular Formula: C25H25D8ClN2O3
Molecular Weight: 453.04

Chemical Structure

Description	tert-Butyl Cetirizine-[d8] is the labelled analogue of tert-Butyl Cetirizine, which is a derivative of Certirizine.
Synonyms	tert-Butyl Cetirizine-d8; [2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl-d8]ethoxy]-acetic Acid 1,1-Dimethylethyl Ester
IUPAC Name	tert-butyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethoxy]acetate
Related CAS	335017-46-4 (unlabelled)
Canonical SMILES	CC(C)(C)OC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI	InChI=1S/C25H33ClN2O3/c1-25(2,3)31-23(29)19-30-18-17-27-13-15-28(16-14-27)24(20-7-5-4-6-8-20)21-9-11-22(26)12-10-21/h4-12,24H,13-19H2,1-3H3/i13D2,14D2,15D2,16D2
InChI Key	CRBIKYGPQWQMAG-DBVREXLBSA-N
Purity	≥95%
Solubility	Soluble in Dichloromethane, Ethyl Acetate
Appearance	Yellow Oily Matter