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Cetirizine dihydrochloride - 10mM in DMSO, high purity , CAS No.83881-52-1, Histamine H1 receptor antagonist
Basic Description
Synonyms
Cetirizine dihydrochloride | 83881-52-1 | CETIRIZINE HYDROCHLORIDE | Zyrtec | Reactine | Cetirizine diHCl | Cetrine | Cetirizine HCl | 2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid dihydrochloride | Alerlisin | Alertisin | Cetriler | Formistin | Ressita
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Histamine H1receptor antagonist that displays selectivity over other receptors at concentrations up to 10μM. A non-sedating antihistamine that inhibits histamine release and eosinophil chemotaxis during secondary phase allergic response. Inhibits activati
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ANTAGONIST
Mechanism of action
Histamine H1 receptor antagonist
Product Description
Cetirizine dihydrochloride is an antihistamine.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylmethanes
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylmethanes
Alternative Parents
Aralkylamines N-alkylpiperazines Chlorobenzenes Aryl chlorides Trialkylamines Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Hydrochlorides Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diphenylmethane - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl halide - 1,4-diazinane - Aryl chloride - Piperazine - Amino acid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride
INCHI
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
InChIKey
PGLIUCLTXOYQMV-UHFFFAOYSA-N
Smiles
C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
Isomeric SMILES
C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
WGK Germany
3
RTECS
AG0980000
PubChem CID
55182
Molecular Weight
461.81
Reaxy-Rn
9100316
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
225°C(lit.)
Molecular Weight
461.800 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
8
Exact Mass
460.109 Da
Monoisotopic Mass
460.109 Da
Topological Polar Surface Area
53.000 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
443.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
Citations of This Product
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1 Citations