94447 <common-name>6'-(Diethylamino)-2'-(octylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>108249</pubchem-id> <chemical-formula>C32H38N2O3</chemical-formula> <weight>498.7</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">2026-04-05T02:44:27Z</created-at> <updated-at type="dateTime">2026-08-31T18:32:37Z</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>CCCCCCCCNC1=CC2=C(OC3=C(C=CC(=C3)N(CC)CC)C22OC(=O)C3=C2C=CC=C3)C=C1</moldb-smiles> <moldb-formula>C32H38N2O3</moldb-formula> <moldb-inchi>InChI=1/C32H38N2O3/c1-4-7-8-9-10-13-20-33-23-16-19-29-28(21-23)32(26-15-12-11-14-25(26)31(35)37-32)27-18-17-24(22-30(27)36-29)34(5-2)6-3/h11-12,14-19,21-22,33H,4-10,13,20H2,1-3H3</moldb-inchi> <moldb-inchikey>NMDQDUHQWBIVNL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">498.667</moldb-average-mass> <moldb-mono-mass type="decimal">498.2882431</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"/> <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>CHEM090340</chemdb-id> <dsstox-id>DTXSID80885433</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00056237</susdat-id> <iupac>6'-(diethylamino)-2'-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one</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>Organoheterocyclic compounds</superklass> <klass>Benzopyrans</klass> <subklass>1-benzopyrans</subklass> <paper-count type="integer" nil="true"/> </compound>