110495 <common-name>C.I. Direct Blue 78, tetrasodium salt</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C42H25N7Na4O13S4</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">2026-04-05T18:59:31Z</created-at> <updated-at type="dateTime">2026-04-05T18:59:31Z</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+].OC1=C(N=NC2=CC=C(N=NC3=CC=C(N=NC4=CC(=CC=C4S([O-])(=O)=O)S([O-])(=O)=O)C4=C3C=C(C=C4)S([O-])(=O)=O)C3=C2C=CC=C3)C2=CC(NC3=CC=CC=C3)=CC=C2C=C1S([O-])(=O)=O</moldb-smiles> <moldb-formula>C42H25N7Na4O13S4</moldb-formula> <moldb-inchi>InChI=1S/C42H29N7O13S4.4Na/c50-42-40(66(60,61)62)20-24-10-11-26(43-25-6-2-1-3-7-25)21-32(24)41(42)49-47-35-16-15-34(29-8-4-5-9-30(29)35)44-46-37-18-17-36(31-14-12-27(22-33(31)37)63(51,52)53)45-48-38-23-28(64(54,55)56)13-19-39(38)65(57,58)59;;;;/h1-23,43,50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4</moldb-inchi> <moldb-inchikey>MIJVKZQQSWANSK-UHFFFAOYSA-J</moldb-inchikey> <moldb-average-mass type="decimal">1055.9</moldb-average-mass> <moldb-mono-mass type="decimal">1054.998395</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM106388</chemdb-id> <dsstox-id>DTXSID0041725</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00081714</susdat-id> <iupac>Tetrasodium 2-{[4-({4-[(7-anilino-2-hydroxy-3-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl}diazenyl)-6-sulfonatonaphthalen-1-yl]diazenyl}benzene-1,4-disulfonate</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>