287468 <common-name>5-amino-2-[(4-amino-2-sulfophenyl)carbamoylamino]benzenesulfonic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>118543</pubchem-id> <chemical-formula>C13H14N4O7S2</chemical-formula> <weight>402.4</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">2026-08-27T23:55:26Z</created-at> <updated-at type="dateTime">2026-08-27T23:55:26Z</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(=C(C=C1N)S(=O)(=O)O)NC(=O)NC2=C(C=C(C=C2)N)S(=O)(=O)O</moldb-smiles> <moldb-formula>C13H14N4O7S2</moldb-formula> <moldb-inchi>InChI=1S/C13H14N4O7S2/c14-7-1-3-9(11(5-7)25(19,20)21)16-13(18)17-10-4-2-8(15)6-12(10)26(22,23)24/h1-6H,14-15H2,(H2,16,17,18)(H,19,20,21)(H,22,23,24)</moldb-inchi> <moldb-inchikey>YZINHSYVVYIZOR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">402.0303912</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.3</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>CHEM283361</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>5-amino-2-[(4-amino-2-sulfophenyl)carbamoylamino]benzenesulfonic 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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>N-phenylureas</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0239247</sync-id> <structure-inchikey>YZINHSYVVYIZOR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000000200000000020000000000800000000000000000000000000000000000000000000400008000000020000120000000000000000000000000000004000000010000000800000000100080000000000000000000000000000000000000000000000000000000000000000080009000000000000080000000000100000000000000000000000000080000000000000000004000080000000000000000000000000000000000000000000000000000000000000000000200000000000000008000000000800040000000000400000000000000000400000000000000</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�B����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:49Z</structure-indexed-at> </compound>