1.0 2016-05-22 03:43:39 UTC 2026-08-20 00:45:29 UTC Metrizamide SmallMolecule Metrizamide belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C18H22I3N3O8. With an average molecular weight of 789.10 g/mol, Metrizamide is a heavy molecule. Human Neurotoxin C18H22I3N3O8 789.096 788.854094955 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide metrizamide 31112-62-6 CN(C(C)=O)C1=C(I)C(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C(I)C(NC(C)=O)=C1I InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18?/m1/s1 BAQCROVBDNBEEB-UBYUBLNFSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Acylaminosugars 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Acetamides Acylaminobenzoic acid and derivatives Aryl iodides Benzamides Benzoyl derivatives Carbonyl compounds Hemiacetals Hexoses Hydrocarbon derivatives Iodobenzenes N-acetylarylamines N-acyl-alpha-hexosamines O-haloacetanilides Organic oxides Organoiodides Organopnictogen compounds Oxacyclic compounds Oxanes P-haloacetanilides Polyols 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 Acylaminosugar Alcohol Anilide Aromatic heteromonocyclic compound Aryl halide Aryl iodide Benzamide Benzenoid Benzoic acid or derivatives Benzoyl Carbonyl group Carboxamide group Carboxylic acid derivative Haloacetanilide Halobenzene Halobenzoic acid or derivatives Hemiacetal Hexose monosaccharide Hydrocarbon derivative Iodobenzene Monocyclic benzene moiety Monosaccharide N-acetylarylamine N-acyl-alpha-hexosamine N-arylamide O-haloacetanilide Organic nitrogen compound Organic oxide Organohalogen compound Organoheterocyclic compound Organoiodide Organonitrogen compound Organopnictogen compound Oxacycle Oxane P-haloacetanilide Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Tertiary carboxylic acid amide Vinylogous halide Aromatic heteromonocyclic compounds Detected and Not Quantified logp -0.88 logp -1.20 ALOGPS logs -3.09 ALOGPS solubility 6.35e-01 g/l ALOGPS logp -0.24 ChemAxon pka_strongest_acidic 11.44 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide ChemAxon average_mass 789.096 ChemAxon mono_mass 788.854094955 ChemAxon smiles CN(C(C)=O)C1=C(I)C(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C(I)C(NC(C)=O)=C1I ChemAxon formula C18H22I3N3O8 ChemAxon inchi InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18?/m1/s1 ChemAxon inchikey BAQCROVBDNBEEB-UBYUBLNFSA-N ChemAxon polar_surface_area 168.66 ChemAxon refractivity 140.62 ChemAxon polarizability 56.3 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf360dde0> DB01578 443944 391998