Cetirizine dihydrochloride

2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride

CAS: 83881-52-1

Molecular Formula	`C21H27Cl3N2O3`
Molecular Weight	461.8 g/mol
Topological Polar Surface Area	53.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	460.10873
Heavy Atoms	29
Complexity	443.0

Chemical Identifiers

CAS Number	83881-52-1
SMILES	`C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl`
InChIKey	`PGLIUCLTXOYQMV-UHFFFAOYSA-N`

📖 Product Overview

Cetirizine dihydrochloride (CAS: 83881-52-1) is a chemical compound with molecular formula C21H27Cl3N2O3 and molecular weight 461.8 g/mol. Its IUPAC systematic name is 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride. Topological Polar Surface Area 53.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 460.10873 Heavy Atoms 29 Complexity 443.0 InChI Key: PGLIUCLTXOYQMV-UHFFFAOYSA-N. SMILES: C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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