326753 <common-name>3-[2-[[3-(3-sulfopropyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonic acid</common-name> <description>3-[2-[[3-(3-sulfopropyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonic acid is a compound with the formula C21H23N2O6S2Se2+. With an average molecular weight of 621.50 g/mol, 3-[2-[[3-(3-sulfopropyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>6912085</pubchem-id> <chemical-formula>C21H23N2O6S2Se2+</chemical-formula> <weight>621.5</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">2026-08-30T05:16:50Z</created-at> <updated-at type="dateTime">2026-08-30T05:16:50Z</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=CC=C2C(=C1)N(C(=CC3=[N+](C4=CC=CC=C4[Se]3)CCCS(=O)(=O)O)[Se]2)CCCS(=O)(=O)O</moldb-smiles> <moldb-formula>C21H23N2O6S2Se2+</moldb-formula> <moldb-inchi>InChI=1S/C21H22N2O6S2Se2/c24-30(25,26)13-5-11-22-16-7-1-3-9-18(16)32-20(22)15-21-23(12-6-14-31(27,28)29)17-8-2-4-10-19(17)33-21/h1-4,7-10,15H,5-6,11-14H2,(H-,24,25,26,27,28,29)/p+1</moldb-inchi> <moldb-inchikey>BMDAIQGVFKHELU-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">622.9328</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>CHEM322646</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>3-[2-[[3-(3-sulfopropyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]-1,3-benzoselenazol-3-yl]propane-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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0277370</sync-id> <structure-inchikey>BMDAIQGVFKHELU-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000024000000000004000000000000001020000000010000000000000000001000040000200000000000000000000088000000000000020000000000200000001100000004000000000010004000000000000000000000001000100000000800100000008000000000000004000804000000000004000000000000100000400000000000000000100000010000000000000080040040000000000000002080000000000000200001000000000010000000000010000008100001000000000080200000000010000000000000001000040000000010200000000000000000004000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������!���$���€��@h�������@h�������@h�������@(������@(������@h��������(�������(�������h�������@(������`*�������@(������@h�������@h�������@h�������@h�������@(�����"`(�������`�������`�������`������� ������(�������(�������`�����" ������`�������`�������`������� ������(�������(�������`��������h���h���h���h���h��� �� ��(�� h� �h���h�� h� �h���h���h���h� ���������������������������������������������� ���h����� h���h�B������������������ ����� ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:18Z</structure-indexed-at> </compound>