<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">141157</id>
  <title nil="true"/>
  <common-name>Moxazocine</common-name>
  <description>Moxazocine is an organic compound with the formula C18H25NO2 and an average molecular weight of 287.40 g/mol. Moxazocine belongs to the 4-hydroxy-6,7-benzomorphans, a subclass of 6,7-benzomorphans within the organic compounds. It is further classified under the superclass of alkaloids and derivatives.</description>
  <cas>58239-89-7</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C18H25NO2</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">2026-04-15T17:25:19Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:34:38Z</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>DB20517</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@]12CC3=C(C=C(O)C=C3)[C@](C)(CCN1CC1CC1)[C@H]2OC</moldb-smiles>
  <moldb-formula>C18H25NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H25NO2/c1-18-7-8-19(11-12-3-4-12)16(17(18)21-2)9-13-5-6-14(20)10-15(13)18/h5-6,10,12,16-17,20H,3-4,7-9,11H2,1-2H3/t16-,17+,18+/m0/s1</moldb-inchi>
  <moldb-inchikey>IOZWXJXXVLARQC-SQNIBIBYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">287.403</moldb-average-mass>
  <moldb-mono-mass type="decimal">287.188529049</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM137050</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 nil="true"/>
  <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>Alkaloids and derivatives</superklass>
  <klass>6,7-benzomorphans</klass>
  <subklass>4-hydroxy-6,7-benzomorphans</subklass>
  <paper-count type="integer">4</paper-count>
  <sync-id>CED0044310</sync-id>
  <structure-inchikey>IOZWXJXXVLARQC-SQNIBIBYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000804000000000000000020000100000000200010000000000000000000000000000000000000400000000000000000000000000000000000000000000000008000000000000000000000000000100000000000040000000000000010000000040000000100040000800020140400000000000000000120000000048000000000000000000000000200000000000000000080000000020000000084004000000000000080000000000000000000000008000000000000000000000000800002000000000000000010000400000000000000600000000000000000000000000201040080000000000000000000000080100000002000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€�� 4��������`������@(������@(������@h�������@(�������h�������@h�������@h������� $�������`�������`�������`������� ������`�������`�������`�������`������ 4�������� ������`��������������h���h���h��� ��h���h��	�	
�	������������������	������������������h�B������������	��������������	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:51:54Z</structure-indexed-at>
</compound>
