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<compound>
  <id type="integer">44807</id>
  <title nil="true"/>
  <common-name>acetylcodeine</common-name>
  <description>Acetylcodeine belongs to the morphinans, a class of alkaloids and derivatives within the organic compounds. This compound has the formula C20H23NO4 and an average molecular weight of 341.41 g/mol.</description>
  <cas>6703-27-1</cas>
  <pubchem-id>5486550</pubchem-id>
  <chemical-formula>C20H23NO4</chemical-formula>
  <weight>341.4</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">2016-06-03T11:10:54Z</created-at>
  <updated-at type="dateTime">2026-08-20T05:54:06Z</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>[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@]2([H])OC(C)=O</moldb-smiles>
  <moldb-formula>C20H23NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1</moldb-inchi>
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  <moldb-average-mass type="decimal">341.407</moldb-average-mass>
  <moldb-mono-mass type="decimal">341.162708225</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4588962</chemspider-id>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM043702</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>Oberacher 2011</stoff-ident-origin>
  <stoff-ident-id>SI00003345</stoff-ident-id>
  <susdat-id>NS00010422</susdat-id>
  <iupac>[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate</iupac>
  <moldb-polar-surface-area>48.0</moldb-polar-surface-area>
  <moldb-refractivity>93.75619999999999</moldb-refractivity>
  <moldb-polarizability>36.04367041250438</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>9.164359163716771</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>5</moldb-number-of-rings>
  <moldb-alogps-logp>2.08</moldb-alogps-logp>
  <moldb-alogps-logs>-3.24</moldb-alogps-logs>
  <moldb-alogps-solubility>1.96e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Alkaloids and derivatives</superklass>
  <klass>Morphinans</klass>
  <subklass nil="true"/>
  <paper-count type="integer">149</paper-count>
  <sync-id>CED0016789</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T04:12:19Z</structure-indexed-at>
</compound>
