5491 <common-name>C.I. Direct Blue 6</common-name> <description nil="true"/> <cas>2602-46-2</cas> <pubchem-id>17449</pubchem-id> <chemical-formula>C32H20N6Na4O14S4</chemical-formula> <weight>932.8</weight> <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">2016-05-19T01:43:17Z</created-at> <updated-at type="dateTime">2026-04-17T16:22:49Z</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+].[Na+].NC1=C2C([O-])=C(\N=N\C3=CC=C(C=C3)C3=CC=C(C=C3)\N=N\C3=C([O-])C4=C(N)C=C(C=C4C=C3S(O)(=O)=O)S([O-])(=O)=O)C(=CC2=CC(=C1)S([O-])(=O)=O)S(O)(=O)=O</moldb-smiles> <moldb-formula>C32H20N6Na4O14S4</moldb-formula> <moldb-inchi>InChI=1S/C32H24N6O14S4.4Na/c33-23-13-21(53(41,42)43)9-17-11-25(55(47,48)49)29(31(39)27(17)23)37-35-19-5-1-15(2-6-19)16-3-7-20(8-4-16)36-38-30-26(56(50,51)52)12-18-10-22(54(44,45)46)14-24(34)28(18)32(30)40;;;;/h1-14,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4/b37-35+,38-36+;;;;</moldb-inchi> <moldb-inchikey>MPCYPRXRVWZKGF-OTGYWJPESA-J</moldb-inchikey> <moldb-average-mass type="decimal">932.74</moldb-average-mass> <moldb-mono-mass type="decimal">931.95111116</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>17214996</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>CHEM004386</chemdb-id> <dsstox-id>DTXSID2020185</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00020776</susdat-id> <iupac>tetrasodium 8-amino-2-[(E)-2-{4'-[(E)-2-(8-amino-1-oxido-3-sulfo-6-sulfonatonaphthalen-2-yl)diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl]-3-sulfo-6-sulfonatonaphthalen-1-olate</iupac> </compound>