108860 <common-name>Trisodium 2,4-diamino-3,5-bis((4-((2-(sulfonatooxy)ethyl)sulfonyl)phenyl)diazenyl)benzenesulfonate</common-name> <description nil="true"/> <cas>182926-43-8</cas> <pubchem-id>12116444</pubchem-id> <chemical-formula>C22H21N6Na3O15S5</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">2026-04-05T17:23:09Z</created-at> <updated-at type="dateTime">2026-04-05T17:23:09Z</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+].NC1=C(C=C(C(N)=C1N=NC1=CC=C(C=C1)S(=O)(=O)CCOS([O-])(=O)=O)S([O-])(=O)=O)N=NC1=CC=C(C=C1)S(=O)(=O)CCOS([O-])(=O)=O</moldb-smiles> <moldb-formula>C22H21N6Na3O15S5</moldb-formula> <moldb-inchi>InChI=1S/C22H24N6O15S5.3Na/c23-20-18(27-25-14-1-5-16(6-2-14)44(29,30)11-9-42-47(36,37)38)13-19(46(33,34)35)21(24)22(20)28-26-15-3-7-17(8-4-15)45(31,32)12-10-43-48(39,40)41;;;/h1-8,13H,9-12,23-24H2,(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3</moldb-inchi> <moldb-inchikey>NHZBDUSKTIQVIW-UHFFFAOYSA-K</moldb-inchikey> <moldb-average-mass type="decimal">838.71</moldb-average-mass> <moldb-mono-mass type="decimal">837.9361518</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>95747550</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>CHEM104753</chemdb-id> <dsstox-id>DTXSID301023795</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00078737</susdat-id> <iupac>trisodium;2,4-diamino-3,5-bis[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate</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>