354022 <common-name>5-[[3-carboxy-4-[[1-(2-methoxy-5-sulfoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfoanilino)butan-2-yl]diazenyl]benzoic acid</common-name> <description>5-[[3-carboxy-4-[[1-(2-methoxy-5-sulfoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfoanilino)butan-2-yl]diazenyl]benzoic acid is a compound with the formula C36H32N8O16S2. With an average molecular weight of 896.80 g/mol, 5-[[3-carboxy-4-[[1-(2-methoxy-5-sulfoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfoanilino)butan-2-yl]diazenyl]benzoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>6454755</pubchem-id> <chemical-formula>C36H32N8O16S2</chemical-formula> <weight>896.8</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">2026-08-31T21:17:34Z</created-at> <updated-at type="dateTime">2026-08-31T21:17:34Z</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>CC(=O)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)O)N=NC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)O)OC)C(=O)O)C(=O)O</moldb-smiles> <moldb-formula>C36H32N8O16S2</moldb-formula> <moldb-inchi>InChI=1S/C36H32N8O16S2/c1-17(45)30(32(47)37-19-4-8-22(9-5-19)61(54,55)56)43-41-26-11-6-20(14-24(26)34(49)50)38-36(53)39-21-7-12-27(25(15-21)35(51)52)42-44-31(18(2)46)33(48)40-28-16-23(62(57,58)59)10-13-29(28)60-3/h4-16,30-31H,1-3H3,(H,37,47)(H,40,48)(H,49,50)(H,51,52)(H2,38,39,53)(H,54,55,56)(H,57,58,59)</moldb-inchi> <moldb-inchikey>IMFBYRSMJHNYFR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">896.1377693</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</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>CHEM349915</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-[[3-carboxy-4-[[1-(2-methoxy-5-sulfoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfoanilino)butan-2-yl]diazenyl]benzoic 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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0304304</sync-id> <structure-inchikey>IMFBYRSMJHNYFR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40002000000000800000000200000002024000000000008100000000000000400000000000000001000000020001000024001000000000000082000000000000000000000000000400008000000020000020000000000100001004000000008000000000010000000050000000100000000000001000000000000000000000400000010060000400000000000000000080000000000000000080000000000000000000002000000000000000080000000000000000000000088000000000008080000000000000000000000100000004800000000200000000000200000000000000008000000000040040800000000400400000000020000700000000020000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������>���A���€���`�������(�������(�������`�������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h�������� ������(�������(�������`�������(�������(������@(������@(������@h�������@(������@h�������@h��������h��������(�������(�������h�������@(������@h�������@(������@(������@h�������@h��������(�������(�������`�������(�������(�������`�������(�������(�������h�������@(������@(������@h�������@h�������@(������@h�������� ������(�������(�������`�������(�������`�������(�������(�������h��������(�������(�������h����������������������(��� �� ��h�� h� h� �h���h� � ��� ��� �������(��� ��h���h���h���h���h��� �� ��(��� �� ��h���h�� h� !h�!"h� # #$(�$%�%&�&'��&(�%)�)*(�)+ +, ,-h�-.h�./h�/0h�01h�02�23��24��25�-6 67��8 89(�8: �; ;<(�;= ��h���h�"�h�1,h�B������ ������������� !"��-./01,����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:51:51Z</structure-indexed-at> </compound>