1.0 2016-05-22 03:38:11 UTC 2026-08-22 02:52:48 UTC Candesartan SmallMolecule Candesartan is an organic compound with the chemical formula C24H20N6O3 and an average molecular weight of 440.45 g/mol. Candesartan belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. In terms of biological activity, it is recorded as an antagonist of the Type-1 angiotensin II receptor (AGTR1). The compound has been found in or released from 29 recorded sources across various sectors. These include aquatic systems and sediments, such as groundwater, surface water, seawater, and freshwater, as well as drinking water and water supply sources including tap water, bottled water, and desalinated water. It is also present in wastewater, sanitation, and biosolids, specifically within industrial wastewater, wastewater treatment effluent, mine wastewater, and unspecified wastewater. Additionally, candesartan is associated with electrical and electronic equipment, including electrodes, antennas, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. Household cleaning and consumer products, such as tobacco smoke filters, cigar cigarettes, non electric simulated smoking devices, and other smoking requisites, are also identified sources. Furthermore, it is found in appliances, HVAC, and refrigerants, specifically in water heaters and water coolers, along with six additional sectors. Recorded routes of exposure for this compound include oral, inhalation, and touch. PMT C24H20N6O3 440.454 440.159688536 2-ethoxy-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-1,3-benzodiazole-7-carboxylic acid candesartan 139481-59-7 CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1 InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29) HTQMVQVXFRQIKW-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Biphenyls and derivatives Alkyl aryl ethers Azacyclic compounds Benzimidazoles Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives N-substituted imidazoles Organic oxides Organonitrogen compounds Organopnictogen compounds Phenyltetrazoles and derivatives Vinylogous amides Alkyl aryl ether Aromatic heteropolycyclic compound Azacycle Azole Benzimidazole Biphenyl Carboxylic acid Carboxylic acid derivative Ether Heteroaromatic compound Hydrocarbon derivative Imidazole Monocarboxylic acid or derivatives N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenyltetrazole Tetrazole Vinylogous amide Aromatic heteropolycyclic compounds benzimidazolecarboxylic acid biphenylyltetrazole Detected and Not Quantified logp 4.68 logp 4.02 ALOGPS logs -4.76 ALOGPS solubility 7.71e-03 g/l ALOGPS logp 5.05 ChemAxon pka_strongest_acidic 2.97 ChemAxon pka_strongest_basic 1.71 ChemAxon iupac 2-ethoxy-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-1,3-benzodiazole-7-carboxylic acid ChemAxon average_mass 440.454 ChemAxon mono_mass 440.159688536 ChemAxon smiles CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1 ChemAxon formula C24H20N6O3 ChemAxon inchi InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29) ChemAxon inchikey HTQMVQVXFRQIKW-UHFFFAOYSA-N ChemAxon polar_surface_area 118.81 ChemAxon refractivity 134.92 ChemAxon polarizability 45.35 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72278efdc8> DB13919 2541 2445 BE0000062