<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">45281</id>
  <title nil="true"/>
  <common-name>Spiro(12H-benzo(a)xanthene-12,1'(3'H)-isobenzofuran)-3'-one, 9-(diethylamino)-</common-name>
  <description nil="true"/>
  <cas>52636-82-5</cas>
  <pubchem-id>117321</pubchem-id>
  <chemical-formula>C28H23NO3</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">2016-06-03T11:50:44Z</created-at>
  <updated-at type="dateTime">2026-03-26T22:54:03Z</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>CCN(CC)C1=CC2=C(C=C1)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C=CC2=CC=CC=C12</moldb-smiles>
  <moldb-formula>C28H23NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C28H23NO3/c1-3-29(4-2)19-14-15-23-25(17-19)31-24-16-13-18-9-5-6-10-20(18)26(24)28(23)22-12-8-7-11-21(22)27(30)32-28/h5-17H,3-4H2,1-2H3</moldb-inchi>
  <moldb-inchikey>HMNGPLGXLQFPFN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">421.496</moldb-average-mass>
  <moldb-mono-mass type="decimal">421.167793605</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>104842</chemspider-id>
  <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>CHEM044176</chemdb-id>
  <dsstox-id>DTXSID10885365</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>PubChem</stoff-ident-origin>
  <stoff-ident-id>SI00005255</stoff-ident-id>
  <susdat-id>NS00004866</susdat-id>
  <iupac>8'-(diethylamino)-3H-10'-oxaspiro[2-benzofuran-1,5'-tetraphene]-3-one</iupac>
</compound>
