<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">19283</id>
  <title nil="true"/>
  <common-name>Molsidomine</common-name>
  <description nil="true"/>
  <cas>25717-80-0</cas>
  <pubchem-id>5360788</pubchem-id>
  <chemical-formula>C9H14N4O4</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">2016-05-22T05:02:45Z</created-at>
  <updated-at type="dateTime">2026-03-26T23:05:44Z</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>CCOC(=O)[N-]C1=C[N+](=NO1)N1CCOCC1</moldb-smiles>
  <moldb-formula>C9H14N4O4</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3</moldb-inchi>
  <moldb-inchikey>XLFWDASMENKTKL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">242.235</moldb-average-mass>
  <moldb-mono-mass type="decimal">242.101504947</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4090</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>CHEM018178</chemdb-id>
  <dsstox-id>DTXSID0045171</dsstox-id>
  <toxcast-id>45171</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00005132</susdat-id>
  <iupac>5-[(ethoxycarbonyl)azanidyl]-3-(morpholin-4-yl)-1,2,3λ⁵-oxadiazol-3-ylium</iupac>
</compound>
