1.0 2016-05-22 06:58:07 UTC 2026-08-19 20:59:48 UTC Iomeprol SmallMolecule Iomeprol is a compound with the chemical formula C17H22I3N3O8. Iomeprol belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 777.09 g/mol, Iomeprol is a heavy molecule. This substance is found in or released from five recorded sources: healthcare, pharmaceuticals & veterinary products (specifically iodinated X-ray contrast media), drinking water & water supply, electrical & electronic equipment (X Ray Tubes), food, food processing & cookware (food preservation), and household cleaning & consumer products (tobacco smoke filters). Recorded exposure routes for Iomeprol include intravenous, intravascular, intra-arterial, and oral administration. Human Neurotoxin C17H22I3N3O8 777.089 776.8541 N1,N3-bis(2,3-dihydroxypropyl)-5-(2-hydroxy-N-methylacetamido)-2,4,6-triiodobenzene-1,3-dicarboximidic acid iomeron 78649-41-9 CN(C(=O)CO)C1=C(I)C(C(O)=NCC(O)CO)=C(I)C(C(O)=NCC(O)CO)=C1I InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31) NJKDOADNQSYQEV-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 Anilides Aryl iodides Benzamides Benzoyl derivatives Carbonyl compounds Hydrocarbon derivatives Iodobenzenes Organic oxides Organoiodides Organonitrogen compounds Organopnictogen compounds Primary alcohols Secondary alcohols Secondary carboxylic acid amides Tertiary carboxylic acid amides Vinylogous halides 2-halobenzoic acid or derivatives 4-halobenzoic acid or derivatives Acylaminobenzoic acid or derivatives Alcohol Anilide Aromatic homomonocyclic compound Aryl halide Aryl iodide Benzamide Benzoyl Carbonyl group Carboxamide group Carboxylic acid derivative Halobenzene Halobenzoic acid or derivatives Hydrocarbon derivative Iodobenzene Organic nitrogen compound Organic oxide Organic oxygen compound Organohalogen compound Organoiodide Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary alcohol Secondary carboxylic acid amide Tertiary carboxylic acid amide Vinylogous halide Aromatic homomonocyclic compounds benzenedicarboxamide organoiodine compound Detected and Not Quantified Iomeprol Drug Metabolism Action Pathway SMP0144765 logp -1.4 logp -1.80 ALOGPS logs -3.70 ALOGPS solubility 1.55e-01 g/l ALOGPS logp 0.19 ChemAxon pka_strongest_acidic 5.65 ChemAxon pka_strongest_basic 2.53 ChemAxon iupac N1,N3-bis(2,3-dihydroxypropyl)-5-(2-hydroxy-N-methylacetamido)-2,4,6-triiodobenzene-1,3-dicarboximidic acid ChemAxon average_mass 777.089 ChemAxon mono_mass 776.8541 ChemAxon smiles CN(C(=O)CO)C1=C(I)C(C(O)=NCC(O)CO)=C(I)C(C(O)=NCC(O)CO)=C1I ChemAxon formula C17H22I3N3O8 ChemAxon inchi InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31) ChemAxon inchikey NJKDOADNQSYQEV-UHFFFAOYSA-N ChemAxon polar_surface_area 186.64 ChemAxon refractivity 139.33 ChemAxon polarizability 55.19 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7224762da0> DB11705 3731 3600