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Cetirizine-[d8] Dihydrochloride

General Information
Catalog: BLP-008231
CAS: 2070015-04-0
Molecular Formula: C21H17D8ClN2O3.2HCl
Molecular Weight: 469.86
Chemical Structure
Cetirizine-[d8] Dihydrochloride
Description Cetirizine-[d8] Dihydrochloride is the labelled salt of Cetirizine. Cetirizine is a second generation antihistamine and a nonsedating type histamine H1-receptor antagonist, which is used to treat allergic rhinitis, dermatitis and urticaria.
Synonyms Cetirizine-d8 Dihydrochloride; 2-[4-[(4-Chlorophenyl)-phenylmethyl]-1-piperazinyl-d8]ethoxy]acetic Acid Dihydrochloride
IUPAC Name 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethoxy]acetic acid;dihydrochloride
Related CAS 83881-52-1 (unlabelled) 774596-22-4 (free base)
Canonical SMILES ClC1=CC=C(C(N2C([2H])([2H])C([2H])([2H])N(CCOCC(O)=O)C([2H])([2H])C2([2H])[2H])C3=CC=CC=C3)C=C1.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/i10D2,11D2,12D2,13D2;;
InChI Key PGLIUCLTXOYQMV-FLZNRFFQSA-N
Melting Point 208-210°C
Purity ≥99%; ≥99% atom D
Solubility Slightly soluble in Methanol, Water
Appearance White Solid
Storage Store at -20°C under inert atmosphere

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