<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">108573</id>
  <title nil="true"/>
  <common-name>Oxidopamine hydrobromide</common-name>
  <description>Oxidopamine hydrobromide belongs to the benzenediols, a subclass of phenols within the organic compounds. This benzenoid compound has the chemical formula C8H12BrNO3 and an average molecular weight of 250.09 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>176170</pubchem-id>
  <chemical-formula>C8H12BrNO3</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">2026-04-05T16:04:04Z</created-at>
  <updated-at type="dateTime">2026-04-05T16:04:04Z</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>Br.NCCC1=CC(O)=C(O)C=C1O</moldb-smiles>
  <moldb-formula>C8H12BrNO3</moldb-formula>
  <moldb-inchi>InChI=1S/C8H11NO3.BrH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H</moldb-inchi>
  <moldb-inchikey>MLACDGUOKDOLGC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">250.092</moldb-average-mass>
  <moldb-mono-mass type="decimal">249.0000553</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <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>CHEM104466</chemdb-id>
  <dsstox-id>DTXSID30212972</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00076260</susdat-id>
  <iupac>5-(2-Aminoethyl)benzene-1,2,4-triol--hydrogen bromide (1/1)</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Phenols</klass>
  <subklass>Benzenediols</subklass>
  <paper-count type="integer">1572</paper-count>
  <sync-id>CED0007208</sync-id>
  <structure-inchikey>MLACDGUOKDOLGC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000010000000000000000000400000010000000000000000100000000000000000000000000400000000000000000000000000000000000000000000009000000000000000001000000000000000000000000004080000080000000000000000000000000000000000000000000000000000002100000000000000000000000000000000400000008000000000000000008000000040000000000000000000000000000000000000000200</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:43:09Z</structure-indexed-at>
</compound>
