45509 <common-name>4,4'-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-1,3,5,-triazin-2-yl]amino]stilbene-2,2'-disulfonic acid</common-name> <description nil="true"/> <cas>66085-71-0</cas> <pubchem-id>6437098</pubchem-id> <chemical-formula>C42H46N14O10S2</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">2016-06-03T12:12:09Z</created-at> <updated-at type="dateTime">2026-03-26T21:15:29Z</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>[H]\C(=C(\[H])C1=C(C=C(C=C1)N=C1NC(=NC2=CC=CC=C2)N=C(N1)N(CCO)CCC(O)=N)S(O)(=O)=O)C1=C(C=C(C=C1)N=C1NC(=NC2=CC=CC=C2)N=C(N1)N(CCO)CCC(O)=N)S(O)(=O)=O</moldb-smiles> <moldb-formula>C42H46N14O10S2</moldb-formula> <moldb-inchi>InChI=1S/C42H46N14O10S2/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54)/b12-11+</moldb-inchi> <moldb-inchikey>FYHAKIYWVTVEOS-VAWYXSNFSA-N</moldb-inchikey> <moldb-average-mass type="decimal">971.04</moldb-average-mass> <moldb-mono-mass type="decimal">970.296276085</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4941682</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>CHEM044404</chemdb-id> <dsstox-id>DTXSID2070392</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006285</stoff-ident-id> <susdat-id>NS00003511</susdat-id> <iupac>3-{[6-({4-[(E)-2-{4-[(6-{[2-(C-hydroxycarbonimidoyl)ethyl](2-hydroxyethyl)amino}-4-(phenylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene)amino]-2-sulfophenyl}ethenyl]-3-sulfophenyl}imino)-4-(phenylimino)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl](2-hydroxyethyl)amino}propanimidic acid</iupac> </compound>