<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">44321</id>
  <title nil="true"/>
  <common-name>3-amino-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-benzoic acid</common-name>
  <description nil="true"/>
  <cas>22871-58-5</cas>
  <pubchem-id>19777538</pubchem-id>
  <chemical-formula>C10H9I3N2O4</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">2016-06-03T10:42:40Z</created-at>
  <updated-at type="dateTime">2026-03-26T21:35:44Z</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 nil="true"/>
  <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>NC1=C(I)C(C(O)=NCCO)=C(I)C(C(O)=O)=C1I</moldb-smiles>
  <moldb-formula>C10H9I3N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C10H9I3N2O4/c11-5-3(9(17)15-1-2-16)6(12)8(14)7(13)4(5)10(18)19/h16H,1-2,14H2,(H,15,17)(H,18,19)</moldb-inchi>
  <moldb-inchikey>WGLWRCXOMJLZME-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">601.905</moldb-average-mass>
  <moldb-mono-mass type="decimal">601.76964</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>14420880</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>CHEM043216</chemdb-id>
  <dsstox-id>DTXSID50599818</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00002077</stoff-ident-id>
  <susdat-id>NS00003775</susdat-id>
  <iupac>3-amino-5-[(2-hydroxyethyl)-C-hydroxycarbonimidoyl]-2,4,6-triiodobenzoic acid</iupac>
</compound>
