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Cetirizine

  • Name Cetirizine
  • EINECSN/A
  • CAS No. 83881-51-0
  • Density1.237 g/cm3
  • PSA53.01000
  • LogP3.02400
  • Solubility101 mg/L in water
  • Melting Point110-115 °C
  • FormulaC21H25ClN2O3
  • Boiling Point542.1 °C at 760 mmHg
  • Molecular Weight425.355
  • Flash Point281.6 °C
  • Transport InformationN/A
  • Appearancepowder
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 83881-51-0 (Cetirizine)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data8

Cetirizine Chemical Properties

IUPAC Name: 2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
Canonical SMILES: C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C21H25ClN2O3/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)
InChIKey: ZKLPARSLTMPFCP-UHFFFAOYSA-N
Molecular Formula: C21H25ClN2O3
Molecular Weight: 388.89
Molecular structure:
Melting point:  110-115 °C
Water Solubility:  101 mg/L
Index of Refraction: 1.589 
Molar Refractivity: 105.94 cm3 
Molar Volume: 314.2 cm3 
Surface Tension: 50.7 dyne/cm 
Density: 1.237 g/cm3 
Flash Point: 281.6 °C 
Enthalpy of Vaporization: 86.31 kJ/mol 
Boiling Point: 542.1 °C at 760 mmHg 
Vapour Pressure: 1.39E-12 mmHg at 25 °C 
Classification Code of Cetirizine dihydrochloride (CAS NO.83881-51-0): Anti-allergic agents; Drug / Therapeutic Agent; Histamine Agents; Histamine Antagonists; Histamine H1 Antagonists, Non-Sedating; Histamine H1 antagonists; Neurotransmitter Agents

Cetirizine Uses

 Cetirizine dihydrochloride (CAS NO.83881-51-0) is commonly used as an antihistamines drug.

Cetirizine Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 116mg/kg (116mg/kg)   United States Patent Document. Vol. #4525358,

Cetirizine Safety Profile

WGK Germany: 3
RTECS: AG0977500

Cetirizine Specification

  Cetirizine dihydrochloride (CAS NO.83881-51-0), its Synonyms are 2-(4-((4-Chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)acetic acid ; Cetirizina ; Cetirizine ; Cetirizinum ; Hitrizin Film Tablet ; Setir ; Acetic acid, (2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)- ; Cetirizine .

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