68707 <common-name>9,10-Anthracenedione, 1,1'-[(7-oxo-7H-benz[de]anthracene-3,9-diyl)diimino]bis-</common-name> <description nil="true"/> <cas>129-22-6</cas> <pubchem-id>67205</pubchem-id> <chemical-formula>C45H24N2O5</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">2026-04-03T13:03:12Z</created-at> <updated-at type="dateTime">2026-04-03T13:03:12Z</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>O=C1C2=CC=CC=C2C(=O)C2=C(NC3=C4C=CC=C5C(=O)C6=CC(NC7=C8C(=O)C9=C(C=CC=C9)C(=O)C8=CC=C7)=CC=C6C(C=C3)=C45)C=CC=C12</moldb-smiles> <moldb-formula>C45H24N2O5</moldb-formula> <moldb-inchi>InChI=1S/C45H24N2O5/c48-41-26-8-1-3-10-28(26)44(51)39-32(41)14-6-16-36(39)46-23-18-19-24-25-20-21-35(30-12-5-13-31(38(25)30)43(50)34(24)22-23)47-37-17-7-15-33-40(37)45(52)29-11-4-2-9-27(29)42(33)49/h1-22,46-47H</moldb-inchi> <moldb-inchikey>HJWRIENCONWZPB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">672.696</moldb-average-mass> <moldb-mono-mass type="decimal">672.168522</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>60542</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>CHEM064600</chemdb-id> <dsstox-id>DTXSID9059595</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024069</susdat-id> <iupac>1-[[3-[(9,10-dioxoanthracen-1-yl)amino]-7-oxobenzo[a]phenalen-9-yl]amino]anthracene-9,10-dione</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"/> </compound>