<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356199</id>
  <title nil="true"/>
  <common-name>2-[[6-[[4-[[6-[(3-amino-4-methylbenzoyl)amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid</common-name>
  <description>2-[[6-[[4-[[6-[(3-amino-4-methylbenzoyl)amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid has the chemical formula C43H33N7O12S2. With an average molecular weight of 903.90 g/mol, 2-[[6-[[4-[[6-[(3-amino-4-methylbenzoyl)amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>174942</pubchem-id>
  <chemical-formula>C43H33N7O12S2</chemical-formula>
  <weight>903.9</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">2026-09-01T01:27:27Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:27:27Z</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>CC1=C(C=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=C(C=C(C=C4)C(=O)NC5=CC6=CC(=C(C(=C6C=C5)O)N=NC7=CC=CC=C7C(=O)O)S(=O)(=O)O)C)S(=O)(=O)O)N</moldb-smiles>
  <moldb-formula>C43H33N7O12S2</moldb-formula>
  <moldb-inchi>InChI=1S/C43H33N7O12S2/c1-21-7-8-24(18-32(21)44)42(54)46-28-11-13-29-26(17-28)19-35(63(57,58)59)37(39(29)51)49-47-33-14-9-23(15-22(33)2)41(53)45-27-10-12-30-25(16-27)20-36(64(60,61)62)38(40(30)52)50-48-34-6-4-3-5-31(34)43(55)56/h3-20,51-52H,44H2,1-2H3,(H,45,53)(H,46,54)(H,55,56)(H,57,58,59)(H,60,61,62)</moldb-inchi>
  <moldb-inchikey>SUGRJCREWKHZPJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">903.1628619</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6</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>CHEM352092</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>2-[[6-[[4-[[6-[(3-amino-4-methylbenzoyl)amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfonaphthalen-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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass>Naphthalene sulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306449</sync-id>
  <structure-inchikey>SUGRJCREWKHZPJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000008000000000000000000002000000000000008180200000000000000000044000000000000000020000000004800000000040000080000002000000000200000000000000008000002020000020000000000000000004000000000000000000010000000810000000100000000200001000000400000000000000000000010040000000800000000000000080001000000100000000000000000000000000000000000800040008284100000100000001004000080001400000000020040000000080002000000000000000400000104000002004000200000000001000008000000801000040000000000400400000000000200100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������@���F���€���`������@(������@(������@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��� ��(��	 	
 
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��������������!"'() �#$%&amp;'"�./012-����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:54:01Z</structure-indexed-at>
</compound>
