18842 <common-name>Buquinolate</common-name> <description nil="true"/> <cas>5486-03-3</cas> <pubchem-id>21651</pubchem-id> <chemical-formula>C20H27NO5</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">2016-05-22T04:35:31Z</created-at> <updated-at type="dateTime">2026-04-04T20:02:43Z</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>CCOC(=O)C1=CNC2=CC(OCC(C)C)=C(OCC(C)C)C=C2C1=O</moldb-smiles> <moldb-formula>C20H27NO5</moldb-formula> <moldb-inchi>InChI=1S/C20H27NO5/c1-6-24-20(23)15-9-21-16-8-18(26-11-13(4)5)17(25-10-12(2)3)7-14(16)19(15)22/h7-9,12-13H,6,10-11H2,1-5H3,(H,21,22)</moldb-inchi> <moldb-inchikey>LVVXOXRUTDAKFE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">361.438</moldb-average-mass> <moldb-mono-mass type="decimal">361.188922973</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>CHEM017737</chemdb-id> <dsstox-id>DTXSID1041689</dsstox-id> <toxcast-id>41689</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00044584</susdat-id> <iupac>ethyl 6,7-bis(2-methylpropoxy)-4-oxo-1,4-dihydroquinoline-3-carboxylate</iupac> </compound>