17890 <common-name>Metrizamide</common-name> <description>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.</description> <cas>31112-62-6</cas> <pubchem-id>443944</pubchem-id> <chemical-formula>C18H22I3N3O8</chemical-formula> <weight>789.1</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-22T03:43:39Z</created-at> <updated-at type="dateTime">2026-08-20T00:45:29Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB01578</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-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</moldb-smiles> <moldb-formula>C18H22I3N3O8</moldb-formula> <moldb-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</moldb-inchi> <moldb-inchikey>BAQCROVBDNBEEB-UBYUBLNFSA-N</moldb-inchikey> <moldb-average-mass type="decimal">789.096</moldb-average-mass> <moldb-mono-mass type="decimal">788.854094955</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.88</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>391998</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM016785</chemdb-id> <dsstox-id>DTXSID1023310</dsstox-id> <toxcast-id>23310</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00029023</susdat-id> <iupac>3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide</iupac> <moldb-polar-surface-area>168.66</moldb-polar-surface-area> <moldb-refractivity>140.6245999999999</moldb-refractivity> <moldb-polarizability>56.29781273202376</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>6</moldb-donor-count> <moldb-pka-strongest-acidic>11.444519226201354</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.4907761858429698</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-1.20</moldb-alogps-logp> <moldb-alogps-logs>-3.09</moldb-alogps-logs> <moldb-alogps-solubility>6.35e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbohydrates and carbohydrate conjugates</subklass> <paper-count type="integer">2626</paper-count> <sync-id>CED0005832</sync-id> <structure-inchikey>BAQCROVBDNBEEB-UBYUBLNFSA-N</structure-inchikey> 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