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Chemical structure of Cetirizine D8 dihydrochloride

GC35656

Cetirizine D8 dihydrochloride

Also known as 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethoxy]acetic acid;dihydrochloride

Cetirizine D8 dihydrochloride is a deuterium labeled Cetirizine

ChemicalCAS2070015-04-0MW469.86FormulaC21H19D8Cl3N2O3
CAS number
2070015-04-0
Molecular weight
469.86
Formula
C21H19D8Cl3N2O3
Solubility
Methanol： slightly soluble,Water： slightly soluble
InChIKey
PGLIUCLTXOYQMV-FLZNRFFQSA-N
Catalogue number
GC35656
Brand
GLPBIO
Computed properties PubChem CID 76974519 · TPSA 53 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
53 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
29

SMILES [2H]C1(C(N(C(C(N1CCOCC(=O)O)([2H])[2H])([2H])[2H])C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)([2H])[2H])[2H].Cl.Cl

Computed descriptors from PubChem (CID 76974519), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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