<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">19631</id>
  <title nil="true"/>
  <common-name>Brivudine</common-name>
  <description nil="true"/>
  <cas>69304-47-8</cas>
  <pubchem-id>446727</pubchem-id>
  <chemical-formula>C11H13BrN2O5</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">2016-05-22T05:18:39Z</created-at>
  <updated-at type="dateTime">2026-04-13T22:15:31Z</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>DB03312</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(Br)=C(\[H])C1=CN(C(=O)N=C1O)[C@@]1([H])C[C@]([H])(O)[C@@]([H])(CO)O1</moldb-smiles>
  <moldb-formula>C11H13BrN2O5</moldb-formula>
  <moldb-inchi>InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1</moldb-inchi>
  <moldb-inchikey>ODZBBRURCPAEIQ-PIXDULNESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">333.135</moldb-average-mass>
  <moldb-mono-mass type="decimal">332.000784183</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>394011</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>CHEM018526</chemdb-id>
  <dsstox-id>DTXSID0045755</dsstox-id>
  <toxcast-id>45755</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00001237</susdat-id>
  <iupac>5-[(E)-2-bromoethenyl]-4-hydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one</iupac>
</compound>
