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<compound>
  <id type="integer">135450</id>
  <title nil="true"/>
  <common-name>Radafaxine</common-name>
  <description>Radafaxine is an organic compound with the formula C13H18ClNO2 and an average molecular weight of 255.74 g/mol. Radafaxine belongs to the morpholines, a subclass of oxazinanes within the organic compounds. It is classified as an organoheterocyclic compound. Regarding its biological activity, two protein targets are recorded for this substance. Radafaxine acts as an inhibitor of the sodium-dependent dopamine transporter (SLC6A3) and the sodium-dependent noradrenaline transporter (SLC6A2).</description>
  <cas>192374-14-4</cas>
  <pubchem-id>9795056</pubchem-id>
  <chemical-formula>C13H18ClNO2</chemical-formula>
  <weight>255.74</weight>
  <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">2026-04-14T18:23:22Z</created-at>
  <updated-at type="dateTime">2026-08-19T01:18:31Z</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>DB11790</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>C[C@@H]1NC(C)(C)CO[C@@]1(O)C1=CC=CC(Cl)=C1</moldb-smiles>
  <moldb-formula>C13H18ClNO2</moldb-formula>
  <moldb-inchi>InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1</moldb-inchi>
  <moldb-inchikey>RCOBKSKAZMVBHT-TVQRCGJNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">255.74</moldb-average-mass>
  <moldb-mono-mass type="decimal">255.1026065</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM131343</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol</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>Organoheterocyclic compounds</superklass>
  <klass>Oxazinanes</klass>
  <subklass>Morpholines</subklass>
  <paper-count type="integer">38</paper-count>
  <sync-id>CED0025164</sync-id>
  <structure-inchikey>RCOBKSKAZMVBHT-TVQRCGJNSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:49:34Z</structure-indexed-at>
</compound>
