353659 <common-name>5-[[3-carboxy-4-[[1,3-dioxo-1-(4-sulfoanilino)butan-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-[[1,3-dioxo-1-(4-sulfoanilino)butan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfoanilino)butan-2-yl]diazenyl]benzoic acid has the chemical formula C35H30N8O15S2. With an average molecular weight of 866.80 g/mol, 5-[[3-carboxy-4-[[1,3-dioxo-1-(4-sulfoanilino)butan-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>44145093</pubchem-id> <chemical-formula>C35H30N8O15S2</chemical-formula> <weight>866.8</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">2026-08-31T20:41:10Z</created-at> <updated-at type="dateTime">2026-08-31T20:41:10Z</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=CC=C(C=C4)S(=O)(=O)O)C(=O)O)C(=O)O</moldb-smiles> <moldb-formula>C35H30N8O15S2</moldb-formula> <moldb-inchi>InChI=1S/C35H30N8O15S2/c1-17(44)29(31(46)36-19-3-9-23(10-4-19)59(53,54)55)42-40-27-13-7-21(15-25(27)33(48)49)38-35(52)39-22-8-14-28(26(16-22)34(50)51)41-43-30(18(2)45)32(47)37-20-5-11-24(12-6-20)60(56,57)58/h3-16,29-30H,1-2H3,(H,36,46)(H,37,47)(H,48,49)(H,50,51)(H2,38,39,52)(H,53,54,55)(H,56,57,58)</moldb-inchi> <moldb-inchikey>SNBXVOZJAOQZAV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">866.1272046</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>CHEM349552</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-[[1,3-dioxo-1-(4-sulfoanilino)butan-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>CED0303941</sync-id> <structure-inchikey>SNBXVOZJAOQZAV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40002000000000800000000000000002024000000000008100000000000000000000000000000001000000020001000024001000000000000082000000000000000000000000000400008000000020000020000000000000001004000000008000000000010000000010000000100000000000001000000000000000000000400000010040000400000000000000000080000000000000000000000000000000000000002000000000000000080000000000000000000000088000000000000000000000000000000000000100000000800000000200000000000200000000000000008000000000000040800000000400400000000000000700000000000000</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� h� �h���h� � ��� ��� �������(��� ��h���h���h���h���h��� �� ��(��� �� ��h���h�� h� !h�!"h� # #$(�$%�%&�&'��&(�%)�)*(�)+ +, ,-h�-.h�./h�/0h�01h�/2�23��24��25��6 67(�68 �9 9:(�9; ��h���h�"�h�1,h�B������ ������������� !"��-./01,����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:51:26Z</structure-indexed-at> </compound>