<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">67140</id>
  <title nil="true"/>
  <common-name>C.I. Reactive blue 74</common-name>
  <description>C.I. Reactive blue 74 belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. It is a benzenoid with the chemical formula C28H25Cl1N6O9S2.</description>
  <cas>12677-16-6</cas>
  <pubchem-id>92043235</pubchem-id>
  <chemical-formula>C28H25Cl1N6O9S2</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">2026-04-03T08:51:25Z</created-at>
  <updated-at type="dateTime">2026-04-03T08:51:25Z</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 nil="true"/>
  <moldb-formula>C28H25Cl1N6O9S2</moldb-formula>
  <moldb-inchi>InChI=1S/C28H25ClN6O9S2/c1-5-44-28-34-26(29)33-27(35-28)32-22-11(2)21(12(3)25(13(22)4)46(41,42)43)31-16-10-17(45(38,39)40)20(30)19-18(16)23(36)14-8-6-7-9-15(14)24(19)37/h6-10,31H,5,30H2,1-4H3,(H,38,39,40)(H,41,42,43)(H,32,33,34,35)</moldb-inchi>
  <moldb-inchikey>BROUGDTTZOUGDD-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">688.081296</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>52563078</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>CHEM063033</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00020972</susdat-id>
  <iupac>disodium;1-amino-4-[3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate</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"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Anthracenes</klass>
  <subklass>Anthraquinones</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0103451</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle nil="true"/>
  <structure-indexed-at nil="true"/>
</compound>
