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  <id type="integer">338691</id>
  <title nil="true"/>
  <common-name>6,13-dichloro-10-(2-sulfooxyethylamino)-3-(2-sulfooxyethylimino)-2-(2-sulfooxyethylsulfonyl)-7h-[1,4]benzoxazino[2,3-b]phenoxazine-9-sulfinic acid</common-name>
  <description>6,13-dichloro-10-(2-sulfooxyethylamino)-3-(2-sulfooxyethylimino)-2-(2-sulfooxyethylsulfonyl)-7h-[1,4]benzoxazino[2,3-b]phenoxazine-9-sulfinic acid has the chemical formula C24H22Cl2N4O18S5. With an average molecular weight of 885.70 g/mol, 6,13-dichloro-10-(2-sulfooxyethylamino)-3-(2-sulfooxyethylimino)-2-(2-sulfooxyethylsulfonyl)-7h-[1,4]benzoxazino[2,3-b]phenoxazine-9-sulfinic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>136252424</pubchem-id>
  <chemical-formula>C24H22Cl2N4O18S5</chemical-formula>
  <weight>885.7</weight>
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  <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">2026-08-30T21:49:57Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:49:57Z</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>C1=C2C(=CC(=C1S(=O)O)NCCOS(=O)(=O)O)OC3=C(C4=C(C(=C3N2)Cl)OC5=CC(=NCCOS(=O)(=O)O)C(=CC5=N4)S(=O)(=O)CCOS(=O)(=O)O)Cl</moldb-smiles>
  <moldb-formula>C24H22Cl2N4O18S5</moldb-formula>
  <moldb-inchi>InChI=1S/C24H22Cl2N4O18S5/c25-19-21-23(47-15-7-13(27-1-3-44-51(35,36)37)17(49(31)32)9-11(15)29-21)20(26)22-24(19)48-16-8-14(28-2-4-45-52(38,39)40)18(10-12(16)30-22)50(33,34)6-5-46-53(41,42)43/h7-10,27,29H,1-6H2,(H,31,32)(H,35,36,37)(H,38,39,40)(H,41,42,43)</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">883.8909711</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0</logp>
  <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>CHEM334584</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>6,13-dichloro-10-(2-sulfooxyethylamino)-3-(2-sulfooxyethylimino)-2-(2-sulfooxyethylsulfonyl)-7h-[1,4]benzoxazino[2,3-b]phenoxazine-9-sulfinic acid</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>Organoheterocyclic compounds</superklass>
  <klass>Benzoxazines</klass>
  <subklass>Phenoxazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289117</sync-id>
  <structure-inchikey>MWXKMJWETOSZJQ-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:39:23Z</structure-indexed-at>
</compound>
