112025 <common-name>4,4'-Bis[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2'-stilbene disulfonic acid disodium</common-name> <description nil="true"/> <cas>31900-04-6</cas> <pubchem-id>6439960</pubchem-id> <chemical-formula>C34H30N12Na2O6S2</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">2026-04-05T19:57:35Z</created-at> <updated-at type="dateTime">2026-04-05T19:57:35Z</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+].CNC1=NC(NC2=CC(=C(C=CC3=C(C=C(NC4=NC(NC5=CC=CC=C5)=NC(NC)=N4)C=C3)S([O-])(=O)=O)C=C2)S([O-])(=O)=O)=NC(NC2=CC=CC=C2)=N1</moldb-smiles> <moldb-formula>C34H30N12Na2O6S2</moldb-formula> <moldb-inchi>InChI=1S/C34H32N12O6S2.2Na/c1-35-29-41-31(37-23-9-5-3-6-10-23)45-33(43-29)39-25-17-15-21(27(19-25)53(47,48)49)13-14-22-16-18-26(20-28(22)54(50,51)52)40-34-44-30(36-2)42-32(46-34)38-24-11-7-4-8-12-24;;/h3-20H,1-2H3,(H,47,48,49)(H,50,51,52)(H3,35,37,39,41,43,45)(H3,36,38,40,42,44,46);;/q;2*+1/p-2</moldb-inchi> <moldb-inchikey>KQIXHGNMGGYJAC-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">812.79</moldb-average-mass> <moldb-mono-mass type="decimal">812.1648072</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4944325</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>CHEM107918</chemdb-id> <dsstox-id>DTXSID90891787</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00084118</susdat-id> <iupac>Disodium 2,2'-(ethene-1,2-diyl)bis(5-{[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]amino}benzene-1-sulfonate)</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>