98116 <common-name>2-[[4-(Dimethylamino)-2,5-dimethoxyphenyl]azo]-1,3-dimethyl-1H-imidazolium methyl sulphate</common-name> <description>2-[[4-(Dimethylamino)-2,5-dimethoxyphenyl]azo]-1,3-dimethyl-1H-imidazolium methyl sulphate belongs to the methoxybenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C15H23N5O2 and an average molecular weight of 415.47 g/mol.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C15H23N5O2</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">2026-04-05T05:50:35Z</created-at> <updated-at type="dateTime">2026-04-05T05:50:35Z</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>COS([O-])(=O)=O.COC1=CC(N(C)C)=C(OC)C=C1N=[N+]=C1N(C)C=CN1C</moldb-smiles> <moldb-formula>C15H23N5O2</moldb-formula> <moldb-inchi>InChI=1/C15H23N5O2.CH4O4S/c1-18(2)12-10-13(21-5)11(9-14(12)22-6)16-17-15-19(3)7-8-20(15)4;1-5-6(2,3)4/h7-10,15H,1-6H3;1H3,(H,2,3,4)</moldb-inchi> <moldb-inchikey>GIETXTGEHLNCCP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">415.47</moldb-average-mass> <moldb-mono-mass type="decimal">305.185175</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>CHEM094009</chemdb-id> <dsstox-id>DTXSID001005071</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00060593</susdat-id> <iupac nil="true"/> <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>Methoxybenzenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0103699</sync-id> <structure-inchikey>XYVVRMYGLMMXNJ-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>420000000000000400000000000000000000000000000000000000000004000000000000000000000000200000000002000000000000000020000010000000000000000000000000000000800000000200000000001000010040000000000000020000000000000400000001040000000000001000000000000000000001080000000400000000004000000000040001400008000000400000000000000000000000400000000000000000800000040000020000000000800000000000000800000000000000000000000000000000000000008000000000000000000000000000010000010000000c0000000000000000000000020000010000030000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������ ����� "���ÿ���(�������(�������`�������(������@(������@h�������@(�������(�������`�������`������@(�������(�������`������@h�������@(�������(������ *�������@(������@(�������`������@h�������@h�������@(�������`���������������������������� � h� h� � ���� � �h��� �����h���h��� ��(���(���h������h���h���h������h���h�B��������� ����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:59Z</structure-indexed-at> </compound>