128549 <common-name>4,4'-Carbonimidoylbis[N,N-dimethylanilinium] sulphate</common-name> <description>4,4'-Carbonimidoylbis[N,N-dimethylanilinium] sulphate belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C17H21N3O8S2 and an average molecular weight of 459.50 g/mol.</description> <cas>52497-46-8</cas> <pubchem-id>171165</pubchem-id> <chemical-formula>C17H21N3O8S2</chemical-formula> <weight>459.5</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">2026-04-06T12:27:40Z</created-at> <updated-at type="dateTime">2026-08-29T02:22:20Z</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>CC1=C(C(=C(C=C1)C(=N)C2=C(C(=C(C=C2)C)C)NOS(=O)(=O)O)NOS(=O)(=O)O)C</moldb-smiles> <moldb-formula>C17H21N3O8S2</moldb-formula> <moldb-inchi>InChI=1S/C17H21N3O8S2/c1-9-5-7-13(16(11(9)3)19-27-29(21,22)23)15(18)14-8-6-10(2)12(4)17(14)20-28-30(24,25)26/h5-8,18-20H,1-4H3,(H,21,22,23)(H,24,25,26)</moldb-inchi> <moldb-inchikey>NLMWARNXMUCDRB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">459.0770061</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM124442</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00123787</susdat-id> <iupac>[6-[3,4-dimethyl-2-(sulfooxyamino)benzenecarboximidoyl]-2,3-dimethylanilino] hydrogen sulfate</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Diphenylmethanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0089159</sync-id> <structure-inchikey>NLMWARNXMUCDRB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000080000000000000000002000000000000000080000000000000000000000020000000400000000000800200000000000000000000000000000000000008000000100000020000000000100000000000000000000000000010000000000000000000002000000000000000000000000000000000000400040000000000080000000000080000000000000000000200000000000000000000000000000001000080180000000000000000000080000000000000000000000000000000002000000000000000008100000002000000200000000000000000000000000000040000000000000000000000000000100000000000000</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�B������������ �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:48:25Z</structure-indexed-at> </compound>