1.0 2016-06-03 11:16:51 UTC 2026-08-18 17:02:55 UTC Iopodic acid SmallMolecule Iopodic acid belongs to the phenylpropanoic acids, a class of phenylpropanoids and polyketides within the organic compounds. With an average molecular weight of 597.96 g/mol, Iopodic acid is a heavy molecule with the formula C12H13I3N2O2. This compound acts as an antagonist of the protein target Thyroxine 5-deiodinase (DIO3). The substance is found in or released from four recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is utilized as iodinated X-ray contrast media. It is also associated with electrical and electronic equipment, specifically electrically stimulated smoking devices, as well as household cleaning and consumer products, including perfumes within detergents and soaps and non-electric simulated smoking devices. The recorded exposure route for this compound is oral. C12H13I3N2O2 597.961 597.81111 3-(3-{[(dimethylamino)methylidene]amino}-2,4,6-triiodophenyl)propanoic acid ipodate sodium 5587-89-3 CN(C)C=NC1=C(I)C=C(I)C(CCC(O)=O)=C1I InChI=1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19) YQNFBOJPTAXAKV-UHFFFAOYSA-N Organic compounds Phenylpropanoids and polyketides Phenylpropanoic acids Phenylpropanoic acids Aryl iodides Carbonyl compounds Carboxamidines Carboxylic acids Formamidines Hydrocarbon derivatives Iodobenzenes Monocarboxylic acids and derivatives Organic oxides Organoiodides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds 3-phenylpropanoic-acid Amidine Aromatic homomonocyclic compound Aryl halide Aryl iodide Benzenoid Carbonyl group Carboxylic acid Carboxylic acid amidine Carboxylic acid derivative Formamidine Halobenzene Hydrocarbon derivative Iodobenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organohalogen compound Organoiodide Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compounds Detected and Not Quantified Iopodic acid Drug Metabolism Action Pathway SMP0144428 logp 3.4 logp 3.59 ALOGPS logs -4.86 ALOGPS solubility 8.19e-03 g/l ALOGPS logp 3.4 ChemAxon pka_strongest_acidic 1.99 ChemAxon pka_strongest_basic 4.16 ChemAxon iupac 3-(3-{[(dimethylamino)methylidene]amino}-2,4,6-triiodophenyl)propanoic acid ChemAxon average_mass 597.961 ChemAxon mono_mass 597.81111 ChemAxon smiles CN(C)C=NC1=C(I)C=C(I)C(CCC(O)=O)=C1I ChemAxon formula C12H13I3N2O2 ChemAxon inchi InChI=1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19) ChemAxon inchikey YQNFBOJPTAXAKV-UHFFFAOYSA-N ChemAxon polar_surface_area 52.9 ChemAxon refractivity 104.91 ChemAxon polarizability 40.23 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225ebe440> DB09333 5241 5051 BE0009333