90733 <common-name>2,2'-[(3,3'-Dichloro-4,4'-biphenylylene)bis(azo)]bis[2',5'-dimethoxyacetoacetanilide]</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>85802</pubchem-id> <chemical-formula>C36H34Cl2N6O8</chemical-formula> <weight nil="true"/> <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">2026-04-05T00:27:32Z</created-at> <updated-at type="dateTime">2026-04-05T00:27:32Z</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>COC1=CC=C(OC)C(NC(=O)C(N=NC2=CC=C(C=C2Cl)C2=CC(Cl)=C(C=C2)N=NC(C(C)=O)C(=O)NC2=CC(OC)=CC=C2OC)C(C)=O)=C1</moldb-smiles> <moldb-formula>C36H34Cl2N6O8</moldb-formula> <moldb-inchi>InChI=1/C36H34Cl2N6O8/c1-19(45)33(35(47)39-29-17-23(49-3)9-13-31(29)51-5)43-41-27-11-7-21(15-25(27)37)22-8-12-28(26(38)16-22)42-44-34(20(2)46)36(48)40-30-18-24(50-4)10-14-32(30)52-6/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)</moldb-inchi> <moldb-inchikey>JCCCQHUBURSMDX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">749.6</moldb-average-mass> <moldb-mono-mass type="decimal">748.1815174</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM086626</chemdb-id> <dsstox-id>DTXSID30864556</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00051869</susdat-id> <iupac nil="true"/> <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"/> </compound>