331073 <common-name>2-[(z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxyacetic acid</common-name> <description>2-[(z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxyacetic acid is a chemical compound with the formula C22H22N2O7. It has an average molecular weight of 426.40 g/mol.</description> <cas nil="true"/> <pubchem-id>5745365</pubchem-id> <chemical-formula>C22H22N2O7</chemical-formula> <weight>426.4</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">2026-08-30T11:47:56Z</created-at> <updated-at type="dateTime">2026-08-30T11:47:56Z</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=C(C=C(C=C1)C(=NOCC(=O)O)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC</moldb-smiles> <moldb-formula>C22H22N2O7</moldb-formula> <moldb-inchi>InChI=1S/C22H22N2O7/c1-27-16-6-5-14(10-17(16)28-2)21(24-31-12-20(25)26)22-15-11-19(30-4)18(29-3)9-13(15)7-8-23-22/h5-11H,12H2,1-4H3,(H,25,26)/b24-21-</moldb-inchi> <moldb-inchikey>JJVZJNJLAFDNNL-FLFQWRMESA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">426.1427011</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</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>CHEM326966</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-[(z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxyacetic 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>Organoheterocyclic compounds</superklass> <klass>Isoquinolines and derivatives</klass> <subklass>Benzylisoquinolines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0281613</sync-id> <structure-inchikey>JJVZJNJLAFDNNL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800200000000000800000000000000000000000000400000000000000000000000000000002004000000001900000000000000200000000000000000000000000000000000000020000000080100800004000000000000001000010000000840000000100000000000000000000200000000000000000000000040000000000000000000020000000000010000000000000400000000000000000000000400040000084000000000000000080000000000000000000080000000000000000000000000008000000000004000004000400200400000000000000000000001002042000000040400000000000020000000080000000000</structure-fingerprint> 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