349036 <common-name>7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid</common-name> <description>7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid has the chemical formula C29H22N6O8S2. With an average molecular weight of 646.70 g/mol, 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description> <cas>5979-31-7</cas> <pubchem-id>72696</pubchem-id> <chemical-formula>C29H22N6O8S2</chemical-formula> <weight>646.7</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">2026-08-31T13:23:32Z</created-at> <updated-at type="dateTime">2026-08-31T13:23:32Z</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(=CC(=C1)N)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C29H22N6O8S2</moldb-formula> <moldb-inchi>InChI=1S/C29H22N6O8S2/c30-19-3-1-2-17(14-19)29(37)31-23-10-13-25-18(15-23)16-26(45(41,42)43)27(28(25)36)35-34-21-6-4-20(5-7-21)32-33-22-8-11-24(12-9-22)44(38,39)40/h1-16,36H,30H2,(H,31,37)(H,38,39,40)(H,41,42,43)</moldb-inchi> <moldb-inchikey>VZJYJZHUIYBXJP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">646.094054</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</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>CHEM344929</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>7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic 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>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0299363</sync-id> <structure-inchikey>VZJYJZHUIYBXJP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8180200000000000000000000000000001000000020001000000800000000000000000000002008000000200000000000000008000002020000120000000000000001004000000000000000000010000000810000000100080000000001000000400000000000000000001000000000000800000000000000080001000000000000000000000000000000000000000000800040000084000000100000000004000088000400000000020040000000100002000000000000000400080000000000004000200000000001000008000020003000040000000000400000000000000204000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������-���1���€��@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��� ��(��� � h� !h�!"h�"#h�#$h�"%�%&��%'��%(��)�)*��)+��),���h�� h���h���h�$�h�B����������������� � ������������� !"#$�����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:47:13Z</structure-indexed-at> </compound>