CAS Number83881-52-1
Synonyms2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid,dihydrochloride; Acetic acid, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, hydrochloride (1:2); acide (2-{4-[(4-chlorophényl)(phényl)méthyl]pipérazin-1-yl}éthoxy)acétique dichlorhydrate; Zirtek; acetic acid, [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, dihydrochloride; EINECS 222-225-5; MFCD00941428; (2-{4-[(4-Chlorphenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)essigsäuredihydrochlorid; (2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)acetic acid dihydrochloride; (2-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid dihydrochloride; Zyrlex; cetirizine dihydrochloride; Cetirizine (dihydrochloride)
Molecular FormulaC21H27Cl3N2O3
Molecular Weight461.81
Purity98%
Density1.237 g/cm3
Boiling Point542.1ºC at 760 mmHg
Melting Point110-115ºC
AppearanceSolid;White to Almost white powder to crystal
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 83881-52-1 |
| Catalog No. | 2A-9009709 |
| Chinese Name | 盐酸西替利嗪 |
| Synonyms | 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid,dihydrochloride; Acetic acid, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, hydrochloride (1:2); acide (2-{4-[(4-chlorophényl)(phényl)méthyl]pipérazin-1-yl}éthoxy)acétique dichlorhydrate; Zirtek; acetic acid, [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, dihydrochloride; EINECS 222-225-5; MFCD00941428; (2-{4-[(4-Chlorphenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)essigsäuredihydrochlorid; (2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)acetic acid dihydrochloride; (2-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid dihydrochloride; Zyrlex; cetirizine dihydrochloride; Cetirizine (dihydrochloride) |
| Molecular Formula | C21H27Cl3N2O3 |
| Molecular Weight | 461.81 |
| Purity | 98 |
| Density | 1.237 g/cm3 |
| Boiling Point | 542.1ºC at 760 mmHg |
| Melting Point | 110-115ºC |
| Appearance | Solid;White to Almost white powder to crystal |
| Storage Condition | Desiccate at RT |
| Packaging | III |
| Application | Cetirizine dihydrochloride is a second-generation antihistamine, the main metabolite of hydroxyzine, and a racemic selective H1 receptor inverse agonist. |
| HTC | 2933599090 |
| PubChem ID | 329823534 |
| MDL Number | MFCD00941428 |
| SMILES | OC(COCCN1CCN(C(C2=CC=C(Cl)C=C2)C3=CC=CC=C3)CC1)=O.[H]Cl.[H]Cl |
| 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 |
| InChI Key | PGLIUCLTXOYQMV-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | 6.1(b) |
| MSDS | msds/9709_1_83881_52_1.pdf |
| Bioactivity | Cetirizine 2Hcl, a second-generation antihistamine, is a major metabolite of hydroxyzine, and a racemic selective H1 receptor inverse agonist used in the treatment of allergies, hay fever, angioedema, and urticaria. IC50 value:Target: Histamine H1 receptorCetirizine crosses the blood-brain barrier only slightly, reducing the sedative side-effect common with older antihistamines. It has also been shown to inhibit eosinophil chemotaxis and LTB4 release. At a dosage of 20 mg, Boone et al. found that it inhibited the expression of VCAM-1 in patients with atopic dermatitis. The levorotary enantiomer of cetirizine, known as levocetirizine, is the more active form. From Wikipedia. Related Catalog Signaling Pathways >> GPCR/G Protein >> Histamine Receptor Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology References [1]. Naclerio RM. Additional properties of cetirizine, a new H1 antagonist. Allergy Proc. 1991 May-Jun;12(3):187-91. [2]. Meh A, et al. Effect of cetirizine, a histamine (H(1)) receptor antagonist, on bone modeling during orthodontic tooth movement in rats. Am J Orthod Dentofacial Orthop. 2011 Apr;139(4):e323-9. Chemical & Physical Properties Density 1.237 g/cm3 Boiling Point 542.1ºC at 760 mmHg Melting Point 110-115ºC Molecular Formula C21H27Cl3N2O3 Molecular Weight 461.81 Flash Point 281.6ºC PSA 53.01000 LogP 3.82600 InChIKey PGLIUCLTXOYQMV-UHFFFAOYSA-N SMILES Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 Storage condition Desiccate at RT |
| Use of | Properties Articles37 Name Cetirizine Dihydrochloride Synonym More Synonyms Cetirizine Dihydrochloride Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> Histamine Receptor Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology References [1]. Naclerio RM. Additional properties of cetirizine, a new H1 antagonist. Allergy Proc. 1991 May-Jun;12(3):187-91. [2]. Meh A, et al. Effect of cetirizine, a histamine (H(1)) receptor antagonist, on bone modeling during orthodontic tooth movement in rats. Am J Orthod Dentofacial Orthop. 2011 Apr;139(4):e323-9. Chemical & Physical Properties PSA 53.01000 LogP 3.82600 InChIKey PGLIUCLTXOYQMV-UHFFFAOYSA-N Storage condition Desiccate at RT |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip. |
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