335646 <common-name>4-[2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazol-3-yl]butane-1-sulfonic acid</common-name> <description>4-[2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazol-3-yl]butane-1-sulfonic acid is a chemical compound with the formula C23H25N2O3SSe+. It has an average molecular weight of 488.50 g/mol.</description> <cas nil="true"/> <pubchem-id>118633</pubchem-id> <chemical-formula>C23H25N2O3SSe+</chemical-formula> <weight>488.5</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">2026-08-30T17:51:19Z</created-at> <updated-at type="dateTime">2026-08-30T17:51:19Z</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>CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4[Se]3)CCCCS(=O)(=O)O</moldb-smiles> <moldb-formula>C23H25N2O3SSe+</moldb-formula> <moldb-inchi>InChI=1S/C23H24N2O3SSe/c1-2-24-19(14-13-18-9-3-4-10-20(18)24)17-23-25(15-7-8-16-29(26,27)28)21-11-5-6-12-22(21)30-23/h3-6,9-14,17H,2,7-8,15-16H2,1H3/p+1</moldb-inchi> <moldb-inchikey>AKPSQBFCZQWVKQ-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">489.07511</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM331539</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>4-[2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazol-3-yl]butane-1-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 nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0286115</sync-id> <structure-inchikey>AKPSQBFCZQWVKQ-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>800000000000000000000000000000100000000000020000004003000000000001020000000010000000000000000001000040000200040000000000000000088000000000000020000000000200000000100000004000000800010000000000000000000004000001000100000000800100000000000000000040004001804000000000004000000000000100000000000000000000100100000000000000000000080000040000000000000002080000000000000a00000000000000000000000000010000008108001000000000000200000080002000000000000001000040000000010200000002000000000000000000000000</structure-fingerprint> 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