20204 <common-name>Anazolene sodium</common-name> <description nil="true"/> <cas>3861-73-2</cas> <pubchem-id nil="true"/> <chemical-formula>C26H16N3Na3O10S3</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">2016-05-22T05:49:06Z</created-at> <updated-at type="dateTime">2026-04-03T07:12:44Z</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+].OS(=O)(=O)C1=CC=CC2=C(C=CC(NC3=CC=CC=C3)=C12)N=NC1=C2C([O-])=CC(=CC2=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C26H16N3Na3O10S3</moldb-formula> <moldb-inchi>InChI=1S/C26H19N3O10S3.3Na/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39;;;/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3</moldb-inchi> <moldb-inchikey>ADGGJQPKBDIZMT-UHFFFAOYSA-K</moldb-inchikey> <moldb-average-mass type="decimal">695.57</moldb-average-mass> <moldb-mono-mass type="decimal">694.96909009</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>18587</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>CHEM019099</chemdb-id> <dsstox-id>DTXSID9046578</dsstox-id> <toxcast-id>46578</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00019980</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>228.57999999999996</moldb-polar-surface-area> <moldb-refractivity>163.91890000000004</moldb-refractivity> <moldb-polarizability>60.008097969990224</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>13</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>-3.2396072343280355</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>0.27397064637026536</moldb-pka-strongest-basic> <moldb-physiological-charge>-3</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>1.68</moldb-alogps-logp> <moldb-alogps-logs>-5.07</moldb-alogps-logs> <moldb-alogps-solubility>5.90e-03 g/l</moldb-alogps-solubility> </compound>