CAS Number83881-51-0
Synonyms(2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)acetic acid; Reactine; CERTIRIZINE 2HCL; Zirtek; Cetirizine; Ceterizine; [(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethyl)oxy]acetic acid; vidix; P-071; MFCD00800721; (±)-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic Acid; Cetrizinehydrochloride; Formistin; (2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid; Zyrlex; (±)-[2-[4-(p-Chloro-a-phenylbenzyl)-1-piperazinyl]ethoxy]acetic Acid
Molecular FormulaC21H25O3N2Cl1
Molecular Weight388.89
Purity98%
Density1.2±0.1 g/cm3
Boiling Point542.1±45.0 °C at 760 mmHg
Melting Point110-115°C
AppearanceWhite to off-white crystalline powder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 83881-51-0 |
| Catalog No. | 2A-9009707 |
| Chinese Name | 西替利嗪 |
| Synonyms | (2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)acetic acid; Reactine; CERTIRIZINE 2HCL; Zirtek; Cetirizine; Ceterizine; [(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethyl)oxy]acetic acid; vidix; P-071; MFCD00800721; (±)-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic Acid; Cetrizinehydrochloride; Formistin; (2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid; Zyrlex; (±)-[2-[4-(p-Chloro-a-phenylbenzyl)-1-piperazinyl]ethoxy]acetic Acid |
| Molecular Formula | C21H25O3N2Cl1 |
| Molecular Weight | 388.89 |
| Purity | 98 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 542.1±45.0 °C at 760 mmHg |
| Melting Point | 110-115°C |
| Appearance | White to off-white crystalline powder |
| Water Solubility | 101 mg/L |
| Storage Condition | 2-8℃ |
| Application | Cetirizine is a second-generation antihistamine, the main metabolite of hydroxyzine, and a racemic selective H1 receptor inverse agonist. |
| HTC | 2933599090 |
| MDL Number | MFCD00800721 |
| SMILES | O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 |
| 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) |
| InChI Key | ZKLPARSLTMPFCP-UHFFFAOYSA-N |
| MSDS | msds/9707_1_83881_51_0.pdf |
| Use of | Properties Name cetirizine Synonym More Synonyms Cetirizine Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> Histamine Receptor Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology Natural Products >> Alkaloid References [1]. Hair PI, Scott LJ. Levocetirizine: a review of its use in the management of allergic rhinitis and skin allergies. Drugs. 2006;66(7):973-96. [2]. Day JH, Ellis AK, Rafeiro E. Levocetirizine: a new selective H1 receptor antagonist for use in allergic disorders. Drugs Today (Barc). 2004 May;40(5):415-21. [3]. Namazi MR. Cetirizine and allopurinol as novel weapons against cellular autoimmune disorders. Int Immunopharmacol. 2004 Mar;4(3):349-53. [4]. Curran MP, Scott LJ, Perry CM. Cetirizine: a review of its use in allergic disorders. Drugs. 2004;64(5):523-61. [5]. Portnoy JM, Dinakar C. Review of cetirizine hydrochloride for the treatment of allergic disorders. Expert Opin Pharmacother. 2004 Jan;5(1):125-35. [6]. Huang L, et al. Sinomenine-induced histamine release-like anaphylactoid reactions are blocked by tranilast via inhibiting NF-κB signaling. Pharmacol Res. 2017 Aug 31. pii: S1043-6618(17)30796-X. Chemical & Physical Properties Exact Mass 388.155365 PSA 53.01000 Index of Refraction 1.589 InChIKey ZKLPARSLTMPFCP-UHFFFAOYSA-N Storage condition 2-8℃ Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Acetic acid, (2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)et hoxy)- CAS REGISTRY NUMBER : 83881-51-0 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C21-H25-Cl-N2-O3 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4525358 Safety Information Hazard Codes Xn Risk Phrases R22 WGK Germany 3 RTECS AG0977500 HS Code 2933599090 Synthetic Route 2-{2-[4-[(4-chl... CAS#:290362-10-6 Cetirizine CAS#:83881-51-0 Literature: A/S GEA Farmaceutisk Fabrik Patent: EP1157016 B1, 2003 ; Location in patent: Page/Page column 5 ; Cetirizine Amide CAS#:83881-37-2 Cetirizine CAS#:83881-51-0 2-[2-[4-[(4-chl... CAS#:1244-76-4 Cetirizine CAS#:83881-51-0 Literature: Tao; Yong; Karimian; Khashayar; Tam; Tim Fat Patent: US6046332 A1, 2000 ; Precursor & DownStream Precursor 7 CAS#:290362-10-6 2-{2-[4-[(4-chl... CAS#:83881-37-2 Cetirizine Amide CAS#:1244-76-4 2-[2-[4-[(4-chl... CAS#:109806-71-5 UNII:PGV947X9B1 DownStream 1 CAS#:83881-52-1 Cetirizine Dihy... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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