<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">98380</id>
  <title nil="true"/>
  <common-name>Aluminium tris(5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2-sulphonate)</common-name>
  <description>Aluminium tris(5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2-sulphonate) belongs to the benzoquinolines, a subclass of quinolines and derivatives within the organic compounds. It is classified as an organoheterocyclic compound with the formula C20H12N2O5S. With an average molecular weight of 1,201 g/mol, Aluminium tris(5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2-sulphonate) is a heavy molecule.</description>
  <cas>65104-27-0</cas>
  <pubchem-id>13742711</pubchem-id>
  <chemical-formula>C20H12N2O5S</chemical-formula>
  <weight>392.4</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">2026-04-05T06:02:07Z</created-at>
  <updated-at type="dateTime">2026-08-29T19:17:06Z</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>[Al+3].[O-]S(=O)(=O)C1=CC2=C(NC3=CC4=C(NC5=C(C=CC=C5)C4=O)C=C3C2=O)C=C1.[O-]S(=O)(=O)C1=CC2=C(NC3=CC4=C(NC5=C(C=CC=C5)C4=O)C=C3C2=O)C=C1.[O-]S(=O)(=O)C1=CC2=C(NC3=CC4=C(NC5=C(C=CC=C5)C4=O)C=C3C2=O)C=C1</moldb-smiles>
  <moldb-formula>C20H12N2O5S</moldb-formula>
  <moldb-inchi>InChI=1/3C20H12N2O5S.Al/c3*23-19-11-3-1-2-4-15(11)21-17-9-14-18(8-13(17)19)22-16-6-5-10(28(25,26)27)7-12(16)20(14)24;/h3*1-9H,(H,21,23)(H,22,24)(H,25,26,27);/q;;;+3/p-3</moldb-inchi>
  <moldb-inchikey>YQDDVIKRGHXRCN-UHFFFAOYSA-K</moldb-inchikey>
  <moldb-average-mass type="decimal">1201.11</moldb-average-mass>
  <moldb-mono-mass type="decimal">392.0466925</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.8</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>CHEM094273</chemdb-id>
  <dsstox-id>DTXSID00891091</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00060915</susdat-id>
  <iupac>7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonic 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>Quinolines and derivatives</klass>
  <subklass>Benzoquinolines</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0107465</sync-id>
  <structure-inchikey>YQDDVIKRGHXRCN-UHFFFAOYSA-K</structure-inchikey>
  <structure-fingerprint>100000100800000000000000800000000000000000000000000000021000000020000000000000000000000000000000000000000000400000000000000000000000000000020000000000000001000000000000000000000000000100000000000100000000000000000000000000000000000000000000000000000800000200000000000000000000100000000000000000000000010040000000000040000080000000001800000000000080000000000000000000000040000000000002000004000000000000000000000004200000001200000000000000200000040000000000000001000000400000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������U���`���€� 
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  <structure-indexed-at type="dateTime">2026-09-19T04:38:09Z</structure-indexed-at>
</compound>
