<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">333321</id>
  <title nil="true"/>
  <common-name>(1r,9r,10r)-17-(2-morpholin-4-ylethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol</common-name>
  <description>(1r,9r,10r)-17-(2-morpholin-4-ylethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol is a compound with the formula C22H32N2O2. It has an average molecular weight of 356.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>6602226</pubchem-id>
  <chemical-formula>C22H32N2O2</chemical-formula>
  <weight>356.5</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">2026-08-30T14:40:16Z</created-at>
  <updated-at type="dateTime">2026-08-30T14:40:16Z</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>C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)O)CCN5CCOCC5</moldb-smiles>
  <moldb-formula>C22H32N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H32N2O2/c25-18-5-4-17-15-21-19-3-1-2-6-22(19,20(17)16-18)7-8-24(21)10-9-23-11-13-26-14-12-23/h4-5,16,19,21,25H,1-3,6-15H2/t19-,21+,22+/m0/s1</moldb-inchi>
  <moldb-inchikey>JVNHMMUEDGOTTF-KSEOMHKRSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">356.2463783</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.8</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>CHEM329214</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>(1r,9r,10r)-17-(2-morpholin-4-ylethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-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>Alkaloids and derivatives</superklass>
  <klass>Morphinans</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0283805</sync-id>
  <structure-inchikey>JVNHMMUEDGOTTF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000000000000001000000000000100000000000000000000000000000000000004000000000000000000000000000000000110000000002000080000000000000000008100000000000000000000c00000000000000100000000000000001200200000000201000200000000000000001008000000080000000000000800000040002000000000000000000800000000000000000c400400000000000008000004000000004000000000a000000000000000000000000800002000000002000000000000400040000010000202000000010000000000000040000040000000000000000000000000080000000402000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� ������`�������`������� ������`�������`�������`�������`������@(������@(������@h�������@(������@h�������@h��������h��������`�������`������� ������`�������`������� ������`�������`�������������������������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T05:35:27Z</structure-indexed-at>
</compound>
