Cetirizine hydrochlorideProduct ingredient for Cetirizine
- Name
- Cetirizine hydrochloride
- Drug Entry
- Cetirizine
Cetirizine, also commonly known as Zyrtec, is an orally active second-generation histamine H1 antagonist proven effective in the treatment of various allergic symptoms, such as sneezing, coughing, nasal congestion, hives, and other symptoms 1, 2.
One of the most common uses for this drug is for a condition called allergic rhinitis. The prevalence of allergic rhinitis in the United States is about 15% according to physician diagnoses, and up to 30%, according to self-reported nasal symptoms. Allergic rhinitis is associated with multiple missed or unproductive days at work and school, problems with sleep, and other difficulties with day to day activities for many individuals 3. Furthermore, some antihistamine agents that are used to treat this condition cause undesirable, sedating effects 4.
Cetirizine is one of the first second-generation H1 antihistamines (SGAHs) formulated to selectively inhibit the H1 receptor without sedating effects 2.
- Accession Number
- DBSALT001214
- Structure
Structure for Cetirizine hydrochloride (DBSALT001214)
- Synonyms
- Cetirizine dihydrochloride / Cetirizine HCl
- UNII
- 64O047KTOA
- CAS Number
- 83881-52-1
- Weight
- Average: 461.81
Monoisotopic: 460.1087258 - Chemical Formula
- C21H27Cl3N2O3
- InChI Key
- PGLIUCLTXOYQMV-UHFFFAOYSA-N
- 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
- IUPAC Name
- 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid dihydrochloride
- SMILES
- Cl.Cl.OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
- External Links
- ChemSpider
- 49830
- ChEBI
- 3562
- ChEMBL
- CHEMBL1607273
- Wikipedia
- Cetirizine
- Predicted Properties
Property Value Source Water Solubility 0.0658 mg/mL ALOGPS logP 2.98 ALOGPS logP 0.86 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 3.58 Chemaxon pKa (Strongest Basic) 7.74 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 53.01 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 106.87 m3·mol-1 Chemaxon Polarizability 42.1 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon