137573 <common-name>Azapentacene</common-name> <description>Azapentacene is an organic compound with the formula C18H10N4Na2O6S2 and an average molecular weight of 488.40 g/mol. Azapentacene belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. It is classified under the superclass of organic acids and derivatives.</description> <cas>3863-80-7</cas> <pubchem-id nil="true"/> <chemical-formula>C18H10N4Na2O6S2</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">2026-04-14T20:31:21Z</created-at> <updated-at type="dateTime">2026-05-14T19:53:52Z</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>DB15951</drugbank-id> <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+].[O-]S(=O)(=O)C1=CC=C2NC3=CC4=NC5=CC(=CC=C5NC4=CC3=NC2=C1)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C18H10N4Na2O6S2</moldb-formula> <moldb-inchi>InChI=1S/C18H12N4O6S2.2Na/c23-29(24,25)9-1-3-11-13(5-9)21-17-8-16-18(7-15(17)19-11)22-14-6-10(30(26,27)28)2-4-12(14)20-16;;/h1-8,19-20H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2</moldb-inchi> <moldb-inchikey>XLNKBYYWZULHIR-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">488.4</moldb-average-mass> <moldb-mono-mass type="decimal">487.98371497</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.87</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>CHEM133466</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>disodium 5,12-dihydro-5,7,12,14-tetraazapentacene-2,9-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"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Organic sulfonic acids and derivatives</klass> <subklass>Organosulfonic acids and derivatives</subklass> <paper-count type="integer">16</paper-count> <sync-id>CED0031553</sync-id> <structure-inchikey>XLNKBYYWZULHIR-UHFFFAOYSA-L</structure-inchikey> <structure-fingerprint>20000002000000800000000000000000000000001000000000000000000001000400020004002000000000000000800000000000000000000000000000000020000000000000000020000000000010001000000000000000000000000000100000000000100000000000010000000000000000000000000000000008000000000000200000000040000000000000040000001000000000000000040000000000000000080000010000000000000000080000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000000000000000400020000000000000000</structure-fingerprint> 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