<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">62879</id>
  <title nil="true"/>
  <common-name>Direct Violet 48</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C34H29N7O14S4</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">2026-04-02T22:42:18Z</created-at>
  <updated-at type="dateTime">2026-05-20T17:15:54Z</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+].[Cu++].[Cu++].CNS(=O)(=O)C1=CC=C([O-])C(=C1)N=NC1=C([O-])C2=C(C=C(NC3=CC4=C(C=C3)C([O-])=C(N=NC3=CC(=CC=C3[O-])S(=O)(=O)NC)C(=C4)S([O-])(=O)=O)C=C2)C=C1S([O-])(=O)=O</moldb-smiles>
  <moldb-formula>C34H29N7O14S4</moldb-formula>
  <moldb-inchi>InChI=1S/C34H29N7O14S4.2Cu.2Na/c1-35-56(46,47)21-5-9-27(42)25(15-21)38-40-31-29(58(50,51)52)13-17-11-19(3-7-23(17)33(31)44)37-20-4-8-24-18(12-20)14-30(59(53,54)55)32(34(24)45)41-39-26-16-22(6-10-28(26)43)57(48,49)36-2;;;;/h3-16,35-37,42-45H,1-2H3,(H,50,51,52)(H,53,54,55);;;;/q;2*+2;2*+1/p-6</moldb-inchi>
  <moldb-inchikey>XVOQVFIKRANUSY-IRGIMFCPSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1054.9</moldb-average-mass>
  <moldb-mono-mass type="decimal">887.065532</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>5289431</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>CHEM058772</chemdb-id>
  <dsstox-id>DTXSID20879790</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00013612</susdat-id>
  <iupac nil="true"/>
  <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>
