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<compound>
  <id type="integer">357114</id>
  <title nil="true"/>
  <common-name>[(1s,3s,5r)-2-[4-[4-[(1r,3r,5r)-8,8-dimethyl-3-(2-phenylacetyl)oxy-8-azoniabicyclo[3.2.1]octan-2-yl]phenyl]phenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylacetate</common-name>
  <description>[(1s,3s,5r)-2-[4-[4-[(1r,3r,5r)-8,8-dimethyl-3-(2-phenylacetyl)oxy-8-azoniabicyclo[3.2.1]octan-2-yl]phenyl]phenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylacetate has the chemical formula C46H54N2O4+2. With an average molecular weight of 698.90 g/mol, [(1s,3s,5r)-2-[4-[4-[(1r,3r,5r)-8,8-dimethyl-3-(2-phenylacetyl)oxy-8-azoniabicyclo[3.2.1]octan-2-yl]phenyl]phenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylacetate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>71300900</pubchem-id>
  <chemical-formula>C46H54N2O4+2</chemical-formula>
  <weight>698.9</weight>
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  <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">2026-09-01T04:06:40Z</created-at>
  <updated-at type="dateTime">2026-09-01T04:06:40Z</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>C[N+]1(C2CCC1C(C(C2)OC(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6C7CCC([N+]7(C)C)CC6OC(=O)CC8=CC=CC=C8)C</moldb-smiles>
  <moldb-formula>C46H54N2O4+2</moldb-formula>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">698.4083582</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>8.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM353007</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>[(1s,3s,5r)-2-[4-[4-[(1r,3r,5r)-8,8-dimethyl-3-(2-phenylacetyl)oxy-8-azoniabicyclo[3.2.1]octan-2-yl]phenyl]phenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylacetate</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>Lignans, neolignans and related compounds</superklass>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0307364</sync-id>
  <structure-inchikey>KKUDRSLFRYVMEH-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:54:53Z</structure-indexed-at>
</compound>
