74445 <common-name>2-(1-Amino-9,10-bis(sulphooxy)-2-anthryl)anthra(2,3-d)oxazole-5,10-diyl bis(hydrogen sulphate)</common-name> <description nil="true"/> <cas>4568-45-0</cas> <pubchem-id>78322</pubchem-id> <chemical-formula>C29H18N2O17S4</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">2026-04-04T01:47:42Z</created-at> <updated-at type="dateTime">2026-04-04T01:47:42Z</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>NC1=C(C=CC2=C(OS(O)(=O)=O)C3=CC=CC=C3C(OS(O)(=O)=O)=C12)C1=NC2=CC3=C(OS(O)(=O)=O)C4=CC=CC=C4C(OS(O)(=O)=O)=C3C=C2O1</moldb-smiles> <moldb-formula>C29H18N2O17S4</moldb-formula> <moldb-inchi>InChI=1S/C29H18N2O17S4/c30-24-18(10-9-17-23(24)28(48-52(41,42)43)16-8-4-3-7-15(16)25(17)45-49(32,33)34)29-31-21-11-19-20(12-22(21)44-29)27(47-51(38,39)40)14-6-2-1-5-13(14)26(19)46-50(35,36)37/h1-12H,30H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)</moldb-inchi> <moldb-inchikey>QZXVIVPPIIRMCP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">794.7</moldb-average-mass> <moldb-mono-mass type="decimal">793.94883</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>70694</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>CHEM070338</chemdb-id> <dsstox-id>DTXSID20196590</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00031552</susdat-id> <iupac>[2-(1-amino-9,10-disulfooxyanthracen-2-yl)-5-sulfooxynaphtho[3,2-f][1,3]benzoxazol-10-yl] hydrogen 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>