80896 <common-name>((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid</common-name> <description>((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. It is classified as a benzenoid with the formula C20H13N1O7S1 and an average molecular weight of 411.38 g/mol.</description> <cas>94087-00-0</cas> <pubchem-id>3019358</pubchem-id> <chemical-formula>C20H13N1O7S1</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">2026-04-04T16:40:29Z</created-at> <updated-at type="dateTime">2026-04-04T16:40:29Z</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>OC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(O)C(NC2=CC=CC=C2S(O)(=O)=O)=C1</moldb-smiles> <moldb-formula>C20H13N1O7S1</moldb-formula> <moldb-inchi>InChI=1S/C20H13NO7S/c22-14-9-13(21-12-7-3-4-8-15(12)29(26,27)28)20(25)17-16(14)18(23)10-5-1-2-6-11(10)19(17)24/h1-9,21-22,25H,(H,26,27,28)</moldb-inchi> <moldb-inchikey>WEFQTBBVPISSDD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">411.38</moldb-average-mass> <moldb-mono-mass type="decimal">411.041272</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2286604</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>CHEM076789</chemdb-id> <dsstox-id>DTXSID20240406</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00039966</susdat-id> <iupac>2-[(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)amino]benzenesulfonic acid</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>Benzenoids</superklass> <klass>Anthracenes</klass> <subklass>Anthraquinones</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0071400</sync-id> <structure-inchikey>WEFQTBBVPISSDD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000200000000000000000000000000020000000028000000000800020000000000040000000100800000000001000000000008000000020000020000000000000000000000000000000000000010000000800000000100000000000000000000000040080800000000000000000000000800000000000000080000000000108000080000000004000000000000000000000000000080000000000000000000000080000000000000000000004000004002100000000000010000000008000000000001200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> 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