94899 <common-name>Sodium hydrogen 3-sulphonatoisonicotinate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>415912</pubchem-id> <chemical-formula>C6H5NO5S</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">2026-04-05T03:03:59Z</created-at> <updated-at type="dateTime">2026-04-05T03:03:59Z</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>[Na+].OC(=O)C1=C(C=NC=C1)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C6H5NO5S</moldb-formula> <moldb-inchi>InChI=1/C6H5NO5S.Na/c8-6(9)4-1-2-7-3-5(4)13(10,11)12;/h1-3H,(H,8,9)(H,10,11,12);/q;+1/p-2</moldb-inchi> <moldb-inchikey>PCGVTMOFALRHHB-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">225.15</moldb-average-mass> <moldb-mono-mass type="decimal">202.9888433</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>CHEM090792</chemdb-id> <dsstox-id>DTXSID80199542</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00056773</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>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass>Pyridinecarboxylic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0156293</sync-id> <structure-inchikey>PCGVTMOFALRHHB-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>800000000200000000000000000000000000000000000000000020000002004800000000000000080000000000000000000000000000000000000000000000020000000000000001000000000000000000000010000100000000000000000000000000000000000000000000000000000010000000000000000000000001000000000000000840000000000000000001000040000000000000000080000000000000000000000480000000000000100000000000020001000000000000000000000000000000000000200000000000000000000000000002040000000000400000000000000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€�� �������h��������(�������(������@(������@(������@h�������@(������@h�������@h�������� ����� "���ÿ���(�������(�������� ��(��� ��h���h���h���h�� h�� � �� ��� �� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:05Z</structure-indexed-at> </compound>