1.0 2011-09-21 00:32:13 UTC 2015-07-21 06:57:47 UTC FDB023599 Cetirizine Cetirizine is a medication used for the treatment of allergies, hay fever, angioedema, and hives. It is a second-generation H1-receptor antagonist antihistamine and works by blocking H1 histamine receptors. It is a major metabolite of hydroxyzine, and has the same basic side effects, including dry mouth.; A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.; Cetirizine hydrochloride is a medication used for the treatment of allergies, hay fever, angioedema, and hives. It is a second-generation H1-receptor antagonist antihistamine and works by blocking H1 histamine receptors. It is a major metabolite of hydroxyzine, and has the same basic side effects, including dry mouth. [HMDB] Benaday Cetirizin Cetirizina Cetirizine hydrochloride Cetirizinum Humex Reactine Virlix Zirtek Zyrlex Zyrtec C21H25ClN2O3 388.888 388.155370383 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid cetirizine 83881-51-0 OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 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) ZKLPARSLTMPFCP-UHFFFAOYSA-N belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Diphenylmethanes Organic compounds Benzenoids Benzene and substituted derivatives Diphenylmethanes Aromatic heteromonocyclic compounds Amino acids Aralkylamines Aryl chlorides Azacyclic compounds Carbonyl compounds Carboxylic acids Chlorobenzenes Dialkyl ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives N-alkylpiperazines Organic oxides Organochlorides Organopnictogen compounds Trialkylamines 1,4-diazinane Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteromonocyclic compound Aryl chloride Aryl halide Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Chlorobenzene Dialkyl ether Diphenylmethane Ether Halobenzene Hydrocarbon derivative Monocarboxylic acid or derivatives N-alkylpiperazine Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperazine Tertiary aliphatic amine Tertiary amine ether monocarboxylic acid monochlorobenzenes piperazines Solid logp 2.98 ALOGPS logs -3.77 ALOGPS solubility 6.58e-02 g/l ALOGPS logp 0.86 ChemAxon pka_strongest_acidic 3.6 ChemAxon pka_strongest_basic 7.79 ChemAxon iupac 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid ChemAxon average_mass 388.888 ChemAxon mono_mass 388.155370383 ChemAxon smiles OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 ChemAxon formula C21H25ClN2O3 ChemAxon 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) ChemAxon inchikey ZKLPARSLTMPFCP-UHFFFAOYSA-N ChemAxon polar_surface_area 53.01 ChemAxon refractivity 106.87 ChemAxon polarizability 41.88 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 97992 Specdb::MsMs 97993 Specdb::MsMs 97994 Specdb::MsMs 162810 Specdb::MsMs 162811 Specdb::MsMs 162812 Specdb::MsMs 436012 Specdb::MsMs 436013 Specdb::MsMs 436014 Specdb::MsMs 436015 Specdb::MsMs 436016 Specdb::MsMs 436017 Specdb::MsMs 436018 Specdb::MsMs 436019 Specdb::MsMs 439317 Specdb::MsMs 439318 Specdb::MsMs 439319 Specdb::MsMs 439320 Specdb::MsMs 440620 Specdb::MsMs 442785 Specdb::MsMs 442786 Specdb::MsMs 442787 Specdb::MsMs 442788 Specdb::MsMs 442789 Specdb::MsMs 442790 Specdb::CMs 23605 Specdb::CMs 38840 Specdb::CMs 118783 Specdb::CMs 162371 Specdb::CMs 806873 HMDB05032 #<Reference:0x000055ce3010a230> #<Reference:0x000055ce3010a078> #<Reference:0x000055ce30109ec0> #<Reference:0x000055ce30109d08> #<Reference:0x000055ce30109b50> #<Reference:0x000055ce30109998> #<Reference:0x000055ce301097e0> #<Reference:0x000055ce30109628> #<Reference:0x000055ce30109470> #<Reference:0x000055ce301092b8> #<Reference:0x000055ce30109100> Histamine H1 receptor P35367 HRH1