19099 <common-name>1,4-Bis(butylamino)anthracene-9,10-dione</common-name> <description nil="true"/> <cas>17354-14-2</cas> <pubchem-id>3766139</pubchem-id> <chemical-formula>C22H26N2O2</chemical-formula> <weight>350.5</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">2016-05-22T04:49:02Z</created-at> <updated-at type="dateTime">2026-04-17T15:47:07Z</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>CCCCNC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NCCCC)C=C1</moldb-smiles> <moldb-formula>C22H26N2O2</moldb-formula> <moldb-inchi>InChI=1S/C22H26N2O2/c1-3-5-13-23-17-11-12-18(24-14-6-4-2)20-19(17)21(25)15-9-7-8-10-16(15)22(20)26/h7-12,23-24H,3-6,13-14H2,1-2H3</moldb-inchi> <moldb-inchikey>OCQDPIXQTSYZJL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">350.462</moldb-average-mass> <moldb-mono-mass type="decimal">350.199428085</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2994956</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>CHEM017994</chemdb-id> <dsstox-id>DTXSID5044605</dsstox-id> <toxcast-id>44605</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00019427</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>58.199999999999996</moldb-polar-surface-area> <moldb-refractivity>109.28579999999995</moldb-refractivity> <moldb-polarizability>41.4509690542218</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>4.788170704497049</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>5.25</moldb-alogps-logp> <moldb-alogps-logs>-5.09</moldb-alogps-logs> <moldb-alogps-solubility>2.87e-03 g/l</moldb-alogps-solubility> </compound>