Cetirizine (CED0003875)

Record Information
Version1.0
Creation Date2009-07-21 20:26:38 UTC
Update Date2026-05-14 16:35:57 UTC
SynCED IDCED0003875
Secondary Accession Numbers
  • CHEM002175
  • T3D2756
Identification
Common NameCetirizine
ClassSmall Molecule
Description
Cetirizine is an exogenous organic compound with the formula C21H25ClN2O3 and an average molecular weight of 388.89 g/mol. It exists as a solid at room temperature. Cetirizine belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This compound functions as an anti-allergic agent and a biological H1-receptor antagonist. It targets five proteins, including the Histamine H4 receptor (HRH4), Angiopoietin-1 receptor (TEK), Voltage-gated inwardly rectifying potassium channel KCNH2, and Multidrug and toxin extrusion protein 1 (SLC47A1). Regarding the Histamine H1 receptor (HRH1), cetirizine competes with histamine for binding at H1-receptor sites on the effector cell surface, which results in the suppression of pruritus, flare, and histaminic edema. The less lipophilic carboxyl group on the ethylamine side chain reduces the penetration of cetirizine into the CNS, leading to a low incidence of sedation. The compound has been detected in the skin and brain. Cetirizine is found in 18 recorded sources, including healthcare, pharmaceuticals, and veterinary products such as decongestants, antiallergics, and antihistamines. It is also found in food preservation, electrical and electronic equipment—including electrodes, amplifiers, electric switches, conductors or conductive bodies characterized by the conductive materials, and electrically stimulated smoking devices—and household cleaning and consumer products, such as bleaching agents, perfumes within detergents and soaps, cigar cigarettes, other smoking requisites, and non-electric simulated smoking devices. Recorded exposure routes for the compound include oral, ophthalmic, and intravenous administration.
Contaminant Type
  • Amine
  • Anti-Allergic Agent
  • Drug
  • Ether
  • Food Toxin
  • Histamine Antagonist
  • Histamine H1 Antagonist, Non-Sedating
  • Metabolite
  • Organic Compound
  • Organochloride
  • Synthetic Compound
Chemical Structure
SynonymsNot Available
Chemical FormulaC21H25ClN2O3
Average Molecular Mass388.888 g/mol
Monoisotopic Mass388.155 g/mol
CAS Registry Number83881-51-0
IUPAC Name2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
Traditional Namecetirizine
SMILESOC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
InChI IdentifierInChI=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 KeyZKLPARSLTMPFCP-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue Locations
  • Brain
  • Skin
Applications
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting Point112.5°C
Boiling PointNot Available
Solubility101 mg/L
Predicted Properties
PropertyValueSource
Water Solubility0.066 g/LALOGPS
logP2.98ALOGPS
logP0.86ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)3.6ChemAxon
pKa (Strongest Basic)7.79ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area53.01 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity106.87 m³·mol⁻¹ChemAxon
Polarizability41.88 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0udr-3292000000-e20abaab20740ce81a18Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0uds-7498000000-d6daecf118171395d6b7Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-0900000000-9801bb859e79fa9922aaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-014b559d56b0f32984ffNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-213bd47e17d5ab69ad4bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004r-9006000000-f496e22c8e0e293fe98cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-d8a55ab1a7aff0580a91Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-d8a55ab1a7aff0580a91Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-dc957bb6f947575ae4faNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000b-0900000000-48fc0581ff9fff15e16dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-04ca95fadd952d0aaeb8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-014b559d56b0f32984ffNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0009000000-26a7769df28c2325ec53Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0009000000-284c2e7b25733d7c9875Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-04befed283d691217ba2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-14715ff4d57580fbb166Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0069000000-431df9c3533b77cf08bcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-e042b67e2048318e7dbdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-b0dfb67717c01fd0c0b9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0970000000-e2810b242fefb4a419e7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-72f7cddc4ff6d45f98c0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-d6044767562f707c8061Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0059000000-15be2621a731a6c2b0eaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-01f33b4e54bcb6c8720cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-f28111ea9c76c1bd27ddNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0970000000-673301f54b883df73a2aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-81ab05c275bd28fa3dfbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-82d8eb507c79b7342917Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-0f667566feb3af808386Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0690000000-0d4336539c5ebe9050c8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-1638816057d01db5eaa1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-de2feb9a65604f442606Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-58d302681ca058e5706cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0391000000-7af5014f07bed862bba6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0491000000-ac48bba9129fe5016c4bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-213bd47e17d5ab69ad4bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9300000000-27962e4b1626b0050435Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-e2647cdd5bd1dbb61bafNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-dc957bb6f947575ae4faNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9000000000-499a89bc66753d5f69b8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-b0dfb67717c01fd0c0b9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0970000000-e2810b242fefb4a419e7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9000000000-f5ad6469a00009631deaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0009000000-26a7769df28c2325ec53Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-1009000000-6767ff3628ea4d4a0b2bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-04ca95fadd952d0aaeb8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9200000000-ca24c06b01ce94a6cdbfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9100000000-6549688346d3e240733bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0490000000-326b6ef45a7ec2f4c5cdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-6e9d3c65f64581291b1fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0920000000-f3e9fb11dd7e2b3c2894Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0094000000-86e7e136c2ccaf9bb652Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-95004808ff9b999b3b54Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-556a00b4e29cbd9388d2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-a9db9d6d6a350106ba5aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-2009000000-3219808240ad562500a2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-e042b67e2048318e7dbdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-d8a55ab1a7aff0580a91Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-5017d83d2b493bb6fd59Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0690000000-c721d3ce71f012c4e041Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004r-9006000000-f496e22c8e0e293fe98cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0069000000-431df9c3533b77cf08bcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0059000000-15be2621a731a6c2b0eaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-7a4b40de5765ce54b455Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-0900000000-9801bb859e79fa9922aaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0391000000-d85a3068b64b8801de7aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-538a367a5cc6c6de48b8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-8d61f066a33f7a69bba8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-0f667566feb3af808386Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-81ab05c275bd28fa3dfbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0009000000-284c2e7b25733d7c9875Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-c65ff364f9d05cd17dfeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0009000000-014b559d56b0f32984ffNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-f28111ea9c76c1bd27ddNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0970000000-673301f54b883df73a2aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-6f2d62a8df08f34173daNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000b-0900000000-48fc0581ff9fff15e16dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0019000000-e2cc239f762011eb0c4dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0w2i-1169000000-185e6899ae017256a767Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-3391000000-bfd70499959ae71093ebNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0009000000-caf1604c9603d45a6712Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-1119000000-61c40cd9a0e9b76b5e91Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-056r-9162000000-08731719ee47b215e4c7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kr-0019000000-0c5e69814c3e65c1bb03Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kr-3069000000-040dc5b68ae9b49650d1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0h0u-3292000000-27313a2e9a6a6cb48e7bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f79-0089000000-3f59e7cc38d9510dbdafNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0090000000-35c9b971bf421f75d391Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0090000000-1e264e7d52e0ff1c99eaNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
766.0 Log mg/kg [430:1400]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityCetirizine competes with histamine for binding at H1-receptor sites on the effector cell surface, resulting in suppression of histaminic edema, flare, and pruritus. The low incidence of sedation can be attributed to reduced penetration of cetirizine into the CNS as a result of the less lipophilic carboxyl group on the ethylamine side chain.
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelNot Available
SymptomsSomnolence (sleepiness or unusual drowsiness), restlessness, irritability.
TreatmentShould overdose occur, treatment should be symptomatic or supportive, taking into account any concomitantly ingested medications. There is no known specific antidote to Cetirizine. (13)
Health Effects
Health EffectRelationshipDirectionDescriptionReference
melanomaHas Therapeutic Effect OnNot AvailableA cell type cancer that has material basis in abnormally proliferating cells derives from melanocytes which are found in skin, the bowel and the eye. (DO)PMC10819319
Allergic rhinitisNot AvailableNot AvailableA rhinitis that is an allergic inflammation and irritation of the nasal airways involving sneezing, runny nose, nasal congestion, itching and tearing of the eyes caused by exposure to an allergen such as pollen, dust, mold, animal dander and droppings of cockroaches or house dust mites.PMC13234367
ovarian cancerHas Therapeutic Effect OnNot AvailableA female reproductive organ cancer that is located in the ovary. (DO)PMC10819319
allergic diseaseNot AvailableNot AvailableAllergic diseases, also known as allergies, are a number of conditions caused by hypersensitivity of the immune system to typically harmless substances in the environment. These diseases include hay fever, food allergies, atopic dermatitis, allergic asthma, and anaphylaxis. Symptoms may include red eyes, an itchy rash, sneezing, a runny nose, shortness of breath, or swelling. Common allergens include pollen and certain foods. Metals and other substances may also cause allergies. Food, insect stings, and medications are common causes of severe allergic reactions. Allergies can be due to both genetic and environmental factors. The underlying mechanism involves immunoglobulin E antibodies (IgE) binding to an allergen and then to a receptor on mast cells or basophils where it triggers the release of inflammatory chemicals such as histamine. Allergies are among the most common conditions in the world. In the developed world, about 20% of people are affected by allergic rhinitis, about 6% of people have at least one food allergy, and about 20% have atopic dermatitis at some point in time.PMC10819319
urticariaHas Therapeutic Effect OnNot AvailableNot AvailablePMC12732908
PruritusHas Therapeutic Effect OnNot AvailableNot AvailablePMC12732908
chronic urticariaNot AvailableNot AvailableNot AvailablePMC13234367
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC9758520
CEDs000393Antihistamines?Antihistamines are a class of synthetic chemicals primarily used to alleviate allergic reactions by blocking the action of histamine in the body.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000400Decongestants and antiallergics?Decongestants and antiallergics are synthetic chemicals commonly used in the treatment of nasal congestion and allergic reactions, respectively.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000479Effluent?Effluent refers to liquid waste or sewage that is discharged into the environment, typically resulting from industrial processes, municipal wastewater treatment, or agricultural runoff.Wastewater, sanitation & biosolidsPMC11015402
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000562Pipe Accessories?Pipe accessories, such as fittings, connectors, and seals, are components used in plumbing systems to facilitate the flow of liquids and gases.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000567Tobacco Product Cases?Tobacco product cases can serve as a source of synthetic chemical contamination due to the presence of various additives and chemicals used in tobacco processing and product manufacturing.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000651Purses Money Bags Wallets?Purses, money bags, and wallets are often manufactured using synthetic materials, including plastics, polyurethanes, and various treated fabrics.Textiles, leather & furnishingsPubChem
CEDs000653Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.Textiles, leather & furnishingsPubChem
CEDs000655Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000730Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.Healthcare, pharmaceuticals & veterinary productsPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01092Pharmaceutical TabletsHealthcare, pharmaceuticals & veterinary productsPMC13234367
CEDs02255WaterAquatic systems & sedimentsPMC9758520 , PMC9758520
CEDs02286LakeAquatic systems & sedimentsPMC6324466
CEDs02324Freshwater EnvironmentAquatic systems & sedimentsPMC9758520
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC10698095
Pathways
6 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
0.396
Statistical Significance
0.0153
Supporting Reference Compounds
593
E-value
118.876
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.371
Applicability Domain
0.396
Statistical Significance
0.0085
Supporting Reference Compounds
451
E-value
66.5611
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.403
Statistical Significance
0.0309
Supporting Reference Compounds
527
E-value
240.632
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.413
Statistical Significance
0.0039
Supporting Reference Compounds
297
E-value
30.5947
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.413
Statistical Significance
0.015
Supporting Reference Compounds
686
E-value
116.618
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.446
Statistical Significance
0.0512
Supporting Reference Compounds
1498
E-value
398.822
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.458
Statistical Significance
0.0041
Supporting Reference Compounds
182
E-value
31.996
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.413
Statistical Significance
0.007
Supporting Reference Compounds
385
E-value
54.6502
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.413
Statistical Significance
0.0115
Supporting Reference Compounds
487
E-value
89.2931
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.413
Statistical Significance
0.0039
Supporting Reference Compounds
266
E-value
30.3612
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.413
Statistical Significance
0.0048
Supporting Reference Compounds
310
E-value
37.6012
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.413
Statistical Significance
0.0291
Supporting Reference Compounds
1130
E-value
226.386
Click to view 3D structureAlpha-1B adrenergic receptorP15823Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.413
Statistical Significance
0.0043
Supporting Reference Compounds
130
E-value
33.2416
Click to view 3D structureVoltage-dependent T-type calcium channel subunit alpha-1GO43497HumansPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.549
Statistical Significance
2.80e-04
Supporting Reference Compounds
27
E-value
2.17978
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.403
Statistical Significance
0.0327
Supporting Reference Compounds
427
E-value
254.333
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.413
Statistical Significance
0.0087
Supporting Reference Compounds
258
E-value
67.7288
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.396
Statistical Significance
0.0229
Supporting Reference Compounds
541
E-value
178.041
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.399
Applicability Domain
0.424
Statistical Significance
0.0157
Supporting Reference Compounds
861
E-value
122.613
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.395
Applicability Domain
0.426
Statistical Significance
0.0129
Supporting Reference Compounds
562
E-value
100.192
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.385
Applicability Domain
0.413
Statistical Significance
0.0219
Supporting Reference Compounds
955
E-value
170.723
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.383
Applicability Domain
0.413
Statistical Significance
0.0074
Supporting Reference Compounds
506
E-value
57.3749
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.426
Statistical Significance
0.0052
Supporting Reference Compounds
203
E-value
40.1702
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.426
Statistical Significance
0.0086
Supporting Reference Compounds
297
E-value
66.9503
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.4
Statistical Significance
0.0284
Supporting Reference Compounds
1103
E-value
220.936
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
0.413
Statistical Significance
0.0139
Supporting Reference Compounds
507
E-value
108.055
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansKnownCetirizine competes with histamine for binding at H1-receptor sites on the effector cell surface, resulting in suppression of histaminic edema, flare, and pruritus. The low incidence of sedation can be attributed to reduced penetration of cetirizine into the CNS as a result of the less lipophilic carboxyl group on the ethylamine side chain.
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansKnownNot Available
Angiopoietin-1 receptor structureClick to view 3D structureAngiopoietin-1 receptorQ02763HumansKnownNot Available
Histamine H4 receptor structureClick to view 3D structureHistamine H4 receptorQ9H3N8HumansKnownNot Available
Click to view 3D structureMultidrug and toxin extrusion protein 1Q96FL8HumansKnownNot Available
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis Reference

Manne Reddy, “Polymorphic forms of dihydrochloride salts of cetirizine and processes for preparation thereof.” U.S. Patent US20040186112, issued September 23, 2004.

MSDSLink
General References
  1. Tashiro M, Sakurada Y, Iwabuchi K, Mochizuki H, Kato M, Aoki M, Funaki Y, Itoh M, Iwata R, Wong DF, Yanai K: Central effects of fexofenadine and cetirizine: measurement of psychomotor performance, subjective sleepiness, and brain histamine H1-receptor occupancy using 11C-doxepin positron emission tomography. J Clin Pharmacol. 2004 Aug;44(8):890-900. [PubMed: 15286093]
  2. Purohit A, Melac M, Pauli G, Frossard N: Comparative activity of cetirizine and desloratadine on histamine-induced wheal-and-flare responses during 24 hours. Ann Allergy Asthma Immunol. 2004 Jun;92(6):635-40. [PubMed: 15237765]
  3. Ramboer I, Bumtbacea R, Lazarescu D, Radu JR: Cetirizine and loratadine: a comparison using the ED50 in skin reactions. J Int Med Res. 2000 Mar-Apr;28(2):69-77. [PubMed: 10898119]
  4. Townley RG, Okada C: Use of cetirizine to investigate non-H1 effects of second-generation antihistamines. Ann Allergy. 1992 Feb;68(2):190-6. [PubMed: 1346737]
  5. Brik A, Tashkin DP, Gong H Jr, Dauphinee B, Lee E: Effect of cetirizine, a new histamine H1 antagonist, on airway dynamics and responsiveness to inhaled histamine in mild asthma. J Allergy Clin Immunol. 1987 Jul;80(1):51-6. [PubMed: 2885355]
  6. Fadel R, Herpin-Richard N, Rihoux JP, Henocq E: Inhibitory effect of cetirizine 2HCl on eosinophil migration in vivo. Clin Allergy. 1987 Jul;17(4):373-9. [PubMed: 2887304]
  7. Petersen LJ, Church MK, Rihoux JP, Skov PS: Measurement of interstitial cetirizine concentrations in human skin: correlation of drug levels with inhibition of histamine-induced skin responses. Allergy. 1999 Jun;54(6):607-11. [PubMed: 10435475]
  8. Siergiejko Z, Michalska I, Rogalewska A, Chyrek-Borowska S: [Effect of cetirizine, selective H1 antagonist of histamine on skin and bronchial reactivity and cellular histamine release in allergic diseases]. Pneumonol Alergol Pol. 1992;60(11-12):22-7. [PubMed: 1303774]
  9. Purohit A, Duvernelle C, Melac M, Pauli G, Frossard N: Twenty-four hours of activity of cetirizine and fexofenadine in the skin. Ann Allergy Asthma Immunol. 2001 Apr;86(4):387-92. [PubMed: 11345280]
  10. Atkins PC, Zweiman B, Moskovitz A, von Allmen C, Ciliberti M: Cellular inflammatory responses and mediator release during early developing late-phase allergic cutaneous inflammatory responses: effects of cetirizine. J Allergy Clin Immunol. 1997 Jun;99(6 Pt 1):806-11. [PubMed: 9215249]
  11. Simons FE, Murray HE, Simons KJ: Quantitation of H1-receptor antagonists in skin and serum. J Allergy Clin Immunol. 1995 Mar;95(3):759-64. [PubMed: 7897161]
  12. Drugs.com - http://www.drugs.com/cons/Cetirizine.html
  13. RxList: The Internet Drug Index (2009). - http://www.rxlist.com/