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| CAS No.: | 83881-51-0 |
|---|---|
| Name: | Cetirizine |
| Molecular Structure: | |
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| Formula: | C21H25ClN2O3 |
| Molecular Weight: | 425.355 |
| Synonyms: | Aceticacid, [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]- (9CI);Acetic acid,2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-; |
| Density: | 1.237 g/cm3 |
| Melting Point: | 110-115 °C |
| Boiling Point: | 542.1 °C at 760 mmHg |
| Flash Point: | 281.6 °C |
| Solubility: | 101 mg/L in water |
| Appearance: | powder |
| PSA: | 53.01000 |
| LogP: | 3.02400 |
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Chemistry
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
Uses
Cetirizine dihydrochloride (CAS NO.83881-51-0) is commonly used as an antihistamines drug.
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, |
Safety Profile
WGK Germany: 3
RTECS: AG0977500
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 .