CAS 83881-51-0|Cetirizine

Introduction：Basic information about CAS 83881-51-0|Cetirizine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Cetirizine BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Cetirizine
CAS Number	83881-51-0	Molecular Weight	388.888
Density	1.2±0.1 g/cm3	Boiling Point	542.1±45.0 °C at 760 mmHg
Molecular Formula	C₂₁H₂₅ClN₂O₃	Melting Point	110-115°C
MSDS	/	Flash Point	281.6±28.7 °C

Names

Name	cetirizine
Synonym	More Synonyms

Cetirizine BiologicalActivity

Description	Cetirizine, 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 ReceptorSignaling Pathways >>Immunology/Inflammation >>Histamine ReceptorResearch Areas >>Inflammation/ImmunologyNatural 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.

Description

Cetirizine, 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 ReceptorSignaling Pathways >>Immunology/Inflammation >>Histamine ReceptorResearch Areas >>Inflammation/ImmunologyNatural 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

Density	1.2±0.1 g/cm3
Boiling Point	542.1±45.0 °C at 760 mmHg
Melting Point	110-115°C
Molecular Formula	C₂₁H₂₅ClN₂O₃
Molecular Weight	388.888
Flash Point	281.6±28.7 °C
Exact Mass	388.155365
PSA	53.01000
LogP	2.16
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.589
InChIKey	ZKLPARSLTMPFCP-UHFFFAOYSA-N
SMILES	O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
Storage condition	2-8℃
Water Solubility	101 mg/L

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AG0977500

CHEMICAL NAME :: Acetic acid, (2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)et hoxy)-

CAS REGISTRY NUMBER :: 83881-51-0

LAST UPDATED :: 199606

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H25-Cl-N2-O3

MOLECULAR WEIGHT :: 388.93

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 116 mg/kg

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

Customs

HS Code	2933599090
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%

Synonyms

Acetic acid, (2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-

(2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)acetic acid

Reactine

CERTIRIZINE 2HCL

Zirtek

acetic acid, [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-

Cetirizine

Ceterizine

[(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethyl)oxy]acetic acid

Acetic acid, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-

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

UNII:YO7261ME24

Zyrlex

(±)-[2-[4-(p-Chloro-a-phenylbenzyl)-1-piperazinyl]ethoxy]acetic Acid

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