1.0 2016-05-22 06:38:56 UTC 2026-08-20 00:59:52 UTC Ioxilan SmallMolecule Ioxilan is an organic compound with the chemical formula C18H24I3N3O8. Ioxilan belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 791.12 g/mol, Ioxilan is a heavy molecule. This compound is associated with six recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is utilized as iodinated X-ray contrast media. It is also found in electrical and electronic equipment, specifically in X-ray tubes and conductors or conductive bodies characterized by the conductive materials. Additional sources include food preservation within food, food processing, and cookware, as well as household cleaning and consumer products such as soap detergents and tobacco smoke filters. The recorded exposure route for this substance is intravascular. C18H24I3N3O8 791.116 790.86975 N1-(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-N3-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide ioxilan 107793-72-6 CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCCO)=C1I InChI=1S/C18H24I3N3O8/c1-8(28)24(5-10(30)7-27)16-14(20)11(17(31)22-2-3-25)13(19)12(15(16)21)18(32)23-4-9(29)6-26/h9-10,25-27,29-30H,2-7H2,1H3,(H,22,31)(H,23,32) UUMLTINZBQPNGF-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Acylaminobenzoic acid and derivatives 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Acetamides Aryl iodides Benzamides Benzoyl derivatives Carbonyl compounds Hydrocarbon derivatives Iodobenzenes N-acylethanolamines O-haloacetanilides Organic oxides Organoiodides Organopnictogen compounds P-haloacetanilides Primary alcohols Secondary alcohols Secondary carboxylic acid amides Tertiary carboxylic acid amides Vinylogous halides 2-halobenzoic acid or derivatives 4-halobenzoic acid or derivatives Acetamide Acetanilide Acylaminobenzoic acid or derivatives Alcohol Alkanolamine Anilide Aromatic homomonocyclic compound Aryl halide Aryl iodide Benzamide Benzoyl Carbonyl group Carboxamide group Carboxylic acid derivative Haloacetanilide Halobenzene Halobenzoic acid or derivatives Hydrocarbon derivative Iodobenzene N-acylethanolamine O-haloacetanilide Organic nitrogen compound Organic oxide Organic oxygen compound Organohalogen compound Organoiodide Organonitrogen compound Organooxygen compound Organopnictogen compound P-haloacetanilide Primary alcohol Secondary alcohol Secondary carboxylic acid amide Tertiary carboxylic acid amide Vinylogous halide Aromatic homomonocyclic compounds Detected and Not Quantified Ioxilan Drug Metabolism Action Pathway SMP0144336 Ioxilan Predicted Metabolism Pathway SMP0174770 logp -1.3 logp -2.51 ALOGPS logs -3.15 ALOGPS solubility 5.59e-01 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 11.74 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac N1-(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-N3-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide ChemAxon average_mass 791.116 ChemAxon mono_mass 790.86975 ChemAxon smiles CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCCO)=C1I ChemAxon formula C18H24I3N3O8 ChemAxon inchi InChI=1S/C18H24I3N3O8/c1-8(28)24(5-10(30)7-27)16-14(20)11(17(31)22-2-3-25)13(19)12(15(16)21)18(32)23-4-9(29)6-26/h9-10,25-27,29-30H,2-7H2,1H3,(H,22,31)(H,23,32) ChemAxon inchikey UUMLTINZBQPNGF-UHFFFAOYSA-N ChemAxon polar_surface_area 179.66 ChemAxon refractivity 142.88 ChemAxon polarizability 57.05 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225d94d80> DB09135 3743 3612