80048 <common-name>Dipotassium 5-bromo-2-(9-chloro-3-(sulphonatooxy)naphtho(1,2-b)thien-2-yl)-1H-indol-3-yl sulphate</common-name> <description nil="true"/> <cas>85391-39-5</cas> <pubchem-id>44147297</pubchem-id> <chemical-formula>C20H11Br1Cl1N1O8S3</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">2026-04-04T15:20:05Z</created-at> <updated-at type="dateTime">2026-04-04T15:20:05Z</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>[K+].[K+].[O-]S(=O)(=O)OC1=C(NC2=C1C=C(Br)C=C2)C1=C(OS([O-])(=O)=O)C2=C(S1)C1=C(C=CC=C1Cl)C=C2</moldb-smiles> <moldb-formula>C20H11Br1Cl1N1O8S3</moldb-formula> <moldb-inchi>InChI=1S/C20H11BrClNO8S3/c21-10-5-7-14-12(8-10)17(30-33(24,25)26)16(23-14)20-18(31-34(27,28)29)11-6-4-9-2-1-3-13(22)15(9)19(11)32-20/h1-8,23H,(H,24,25,26)(H,27,28,29)</moldb-inchi> <moldb-inchikey>SFUBJXMYKCHUTF-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">681.02</moldb-average-mass> <moldb-mono-mass type="decimal">602.851869</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21164868</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>CHEM075941</chemdb-id> <dsstox-id>DTXSID60234566</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038899</susdat-id> <iupac>dipotassium;[5-bromo-2-(9-chloro-3-sulfonatooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] sulfate</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>