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Cetirizine-[d4] dihydrochloride

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General Information
Catalog: BLP-013986
Molecular Formula: C21H21D4ClN2O3.2HCl
Molecular Weight: 465.83
Chemical Structure
Cetirizine-[d4] dihydrochloride
Description Cetirizine-[d4] dihydrochloride is the labelled analogue of Cetirizine Dihydrochloride, which is a nonsedating type histamine H1-receptor antagonist.
Synonyms [2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy-d4]acetic Acid Dihydrochloride; Alercet-d4; Alerid-d4; Alerlisin-d4; Cesta-d4; Cetiriz-d4; Cetirizine-d4 Dihydrochloride; Cetirizine-d4 Hydrochloride; Cetrak-d4; Cetrine-d4; Cetrizet-d4; Cistamine-d4; (±)-Cetirizine-d4 Dihydrochloride
IUPAC Name 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1,1,2,2-tetradeuterioethoxy]acetic acid;dihydrochloride
Related CAS 83881-52-1 (unlabelled) 83881-51-0 (unlabelled free base)
Canonical SMILES C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
InChI InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H/i14D2,15D2;;
InChI Key PGLIUCLTXOYQMV-YOCDACDASA-N
Melting Point 152-155°C
Purity ≥95%
Solubility Soluble in DMSO (Slightly, Heated), Methanol (Slightly), Water (Slightly)
Appearance White to Off-White Solid
Storage Store at -20°C under inert atmosphere
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