1.0 2016-05-22 03:41:59 UTC 2026-08-20 03:59:49 UTC Iohexol SmallMolecule Iohexol is an organic compound with the chemical formula C19H26I3N3O9. Iohexol belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 821.14 g/mol, Iohexol is a heavy molecule. This substance has been identified in or released from 29 recorded sources across multiple sectors. Within aquatic systems and sediments, it is found in freshwater, seawater, surface water, and groundwater. It is also present in drinking water and water supply sources, including tap water, bottled water, and desalinated water. In the sector of wastewater, sanitation, and biosolids, it is recorded in wastewater, unspecified wastewater, industrial wastewater, mine wastewater, and wastewater treatment effluent. Iohexol is associated with electrical and electronic equipment, specifically X ray tubes, electric hearing aids, conductive bodies characterized by conductive materials, and electrically stimulated smoking devices. Additionally, it is found in household cleaning and consumer products, such as soap detergents, perfumes within detergents and soaps, tobacco smoke filters, and non electric simulated smoking devices, as well as in appliances and HVAC refrigerants, including water heaters and water coolers. Exposure routes for Iohexol are diverse. These include intravenous, intravascular, and intrathecal administration, as well as oral, rectal, and inhalation routes. Other recorded routes of exposure include epidural, intracaudal, intralesional, intramuscular, intrasynovial, subarachnoid, perineural, infiltration, soft tissue, and topical application or touch. Human Neurotoxin PMT C19H26I3N3O9 821.1379 820.880309705 N1,N3-bis(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide iohexol 66108-95-0 CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34) NTHXOOBQLCIOLC-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Anilides O-haloacetanilides Acetamides Aryl iodides Carbonyl compounds Carboximidic acids Hydrocarbon derivatives Iodobenzenes Organic oxides Organoiodides Organonitrogen compounds Organopnictogen compounds P-haloacetanilides Primary alcohols Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Tertiary carboxylic acid amides Acetamide Alcohol Aromatic homomonocyclic compound Aryl halide Aryl iodide Carbonyl group Carboxamide group Carboximidic acid Carboximidic acid derivative Carboxylic acid derivative Halobenzene Hydrocarbon derivative Iodobenzene O-haloacetanilide Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organohalogen compound Organoiodide Organonitrogen compound Organooxygen compound Organopnictogen compound P-haloacetanilide Primary alcohol Propargyl-type 1,3-dipolar organic compound Secondary alcohol Tertiary carboxylic acid amide Aromatic homomonocyclic compounds benzenedicarboxamide organoiodine compound Detected and Not Quantified Iohexol Drug Metabolism Action Pathway SMP0143727 logp -2 logp -2.82 ALOGPS logs -3.01 ALOGPS solubility 7.96e-01 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 11.73 ChemAxon pka_strongest_basic -3 ChemAxon iupac N1,N3-bis(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide ChemAxon average_mass 821.1379 ChemAxon mono_mass 820.880309705 ChemAxon smiles CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I ChemAxon formula C19H26I3N3O9 ChemAxon inchi InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34) ChemAxon inchikey NTHXOOBQLCIOLC-UHFFFAOYSA-N ChemAxon polar_surface_area 199.89 ChemAxon refractivity 148.84 ChemAxon polarizability 60.37 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 9 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726c564b00> DB01362 3730 3599