360621 <common-name>[[4,6-bis(sulfomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>202618</pubchem-id> <chemical-formula>C6H12N6O9S3</chemical-formula> <weight>408.4</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">2026-09-01T09:07:36Z</created-at> <updated-at type="dateTime">2026-09-01T09:07:36Z</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>C(NC1=NC(=NC(=N1)NCS(=O)(=O)O)NCS(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C6H12N6O9S3</moldb-formula> <moldb-inchi>InChI=1S/C6H12N6O9S3/c13-22(14,15)1-7-4-10-5(8-2-23(16,17)18)12-6(11-4)9-3-24(19,20)21/h1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H3,7,8,9,10,11,12)</moldb-inchi> <moldb-inchikey>QHUCDGKYTSNXFW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">407.9827895</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.1</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>CHEM356514</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>[[4,6-bis(sulfomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonic 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>Triazines</klass> <subklass>Aminotriazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0310789</sync-id> <structure-inchikey>QHUCDGKYTSNXFW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000800000000000000000000000000000000000000000000000000000000000000000020000002000000000001000000000000000000000000000000000000000008000000000000020000000002000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000004000000000000080000000800000000000000000040000000000000000000000000000080000000080000000000000080000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000004000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������h�������@(������@(������@(������@(������@(������@(�������h��������`������� ������(�������(�������`�������h��������`������� ������(�������(�������`������� ������(�������(�������`����������� ��h���h���h���h���h��� � � � ��� ��� ��� ���������������������������������h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:58:04Z</structure-indexed-at> </compound>