98079 <common-name>Trisodium 8-[[4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulphonate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C25H20N3O13S3</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">2026-04-05T05:48:15Z</created-at> <updated-at type="dateTime">2026-04-05T05:48:15Z</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>[Na+].[Na+].[Na+].CC1=C(C=C(C=C1)C([O-])=NC1=C2C(C=C(C=C2S(O)(=O)=O)S([O-])(=O)=O)=C(C=C1)S(O)(=O)=O)N=C([O-])C1=CC(=CC=C1)N(=O)=O</moldb-smiles> <moldb-formula>C25H20N3O13S3</moldb-formula> <moldb-inchi>InChI=1/C25H19N3O13S3.3Na/c1-13-5-6-15(10-20(13)27-24(29)14-3-2-4-16(9-14)28(31)32)25(30)26-19-7-8-21(43(36,37)38)18-11-17(42(33,34)35)12-22(23(18)19)44(39,40)41;;;/h2-12H,1H3,(H,26,30)(H,27,29)(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3</moldb-inchi> <moldb-inchikey>FQTYEEMSPBWVLV-UHFFFAOYSA-K</moldb-inchikey> <moldb-average-mass type="decimal">731.56</moldb-average-mass> <moldb-mono-mass type="decimal">666.0158257</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM093972</chemdb-id> <dsstox-id>DTXSID701001844</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00060553</susdat-id> <iupac nil="true"/> <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>