<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">17842</id>
  <title nil="true"/>
  <common-name>Iopamidol</common-name>
  <description nil="true"/>
  <cas>60166-93-0</cas>
  <pubchem-id>65492</pubchem-id>
  <chemical-formula>C17H22I3N3O8</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-22T03:42:00Z</created-at>
  <updated-at type="dateTime">2026-04-14T17:34:55Z</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>DB08947</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>[H][C@@](C)(O)C(O)=NC1=C(I)C(C(O)=NC(CO)CO)=C(I)C(C(O)=NC(CO)CO)=C1I</moldb-smiles>
  <moldb-formula>C17H22I3N3O8</moldb-formula>
  <moldb-inchi>InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1</moldb-inchi>
  <moldb-inchikey>XQZXYNRDCRIARQ-LURJTMIESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">777.0853</moldb-average-mass>
  <moldb-mono-mass type="decimal">776.854094955</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>58940</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>CHEM016737</chemdb-id>
  <dsstox-id>DTXSID1023158</dsstox-id>
  <toxcast-id>23158</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000229</susdat-id>
  <iupac>N1,N3-bis(1,3-dihydroxypropan-2-yl)-5-{[(2S)-1,2-dihydroxypropylidene]amino}-2,4,6-triiodobenzene-1,3-dicarboximidic acid</iupac>
</compound>
