<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353772</id>
  <title nil="true"/>
  <common-name>Bis(17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl) carbonate</common-name>
  <description>Bis(17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl) carbonate is a chemical compound with the formula C35H44N2O3. With an average molecular weight of 540.70 g/mol, Bis(17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl) carbonate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>217406</pubchem-id>
  <chemical-formula>C35H44N2O3</chemical-formula>
  <weight>540.7</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">2026-08-31T20:51:00Z</created-at>
  <updated-at type="dateTime">2026-08-31T20:51:00Z</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>CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC(=O)OC5=CC6=C(CC7C8C6(CCCC8)CCN7C)C=C5</moldb-smiles>
  <moldb-formula>C35H44N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C35H44N2O3/c1-36-17-15-34-13-5-3-7-27(34)31(36)19-23-9-11-25(21-29(23)34)39-33(38)40-26-12-10-24-20-32-28-8-4-6-14-35(28,30(24)22-26)16-18-37(32)2/h9-12,21-22,27-28,31-32H,3-8,13-20H2,1-2H3</moldb-inchi>
  <moldb-inchikey>VJBQHOWRDPALJE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">540.3351933</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.5</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>CHEM349665</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>Bis(17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl) carbonate</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>CED0304054</sync-id>
  <structure-inchikey>VJBQHOWRDPALJE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10004000000000000000000200000000000000000010004000000000000000002000000010000000010200008000000000000000020010000000100000200000280000000000000010000000000000000120020000000020108000000000000000000100800000068000000000000080000004000200000000000000000080000000000000000080004000000000000080000000000000000000000008000010000000000000000000000000000000002000000000000400000000050000202000000000000000000000000000040000000000400000000000000080000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������(���/���€���`������� ������`�������`������� ������`�������`�������`�������`�������`�������`�������`������@(������@(������@h�������@(������@h�������@h��������(�������(�������(�������(������@(������@h�������@(������@(�������`�������`�������`������� ������`�������`�������`�������`�������`�������`������� ������`������@h�������@h��������������������������������	�	
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����������&amp;'����������� !���"#$�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:51:33Z</structure-indexed-at>
</compound>
