345758 <common-name>3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenoxy]sulfonylbenzoic acid</common-name> <description>3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenoxy]sulfonylbenzoic acid is a chemical compound with the formula C27H18N2O10S2. With an average molecular weight of 594.60 g/mol, 3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenoxy]sulfonylbenzoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>170453</pubchem-id> <chemical-formula>C27H18N2O10S2</chemical-formula> <weight>594.6</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">2026-08-31T08:44:16Z</created-at> <updated-at type="dateTime">2026-08-31T08:44:16Z</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>C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC(=C5)C(=O)O)S(=O)(=O)O)N</moldb-smiles> <moldb-formula>C27H18N2O10S2</moldb-formula> <moldb-inchi>InChI=1S/C27H18N2O10S2/c28-24-21(40(34,35)36)13-20(22-23(24)26(31)19-7-2-1-6-18(19)25(22)30)29-15-8-10-16(11-9-15)39-41(37,38)17-5-3-4-14(12-17)27(32)33/h1-13,29H,28H2,(H,32,33)(H,34,35,36)</moldb-inchi> <moldb-inchikey>CIPZLICZDITJNZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">594.0402871</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM341651</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenoxy]sulfonylbenzoic 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" nil="true"/> <sync-id>CED0296113</sync-id> <structure-inchikey>CIPZLICZDITJNZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000000000000000000000000000000021000000000000000000001000000000212000000a80000000048000000000000000800000001000000000000000000001000080000000200000a0000000000140000200000000000000000000010010000810080000100000000000000000000001040080000000000001000000000000800000000000200080001000000100000080000040000000000000020000000005000000084000000000000000004000080000000000080001000000000000000000000000000000000000000000000000001200000000020000000000800000020040000000000400000000000000004000000000000000</structure-fingerprint> 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