61706 <common-name>2-(2,4-Di-tert-pentylphenoxy)-3'-hydroxy-4'-[(5H-perfluorovaleryl)amino]hexananilide</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3085826</pubchem-id> <chemical-formula>C33H42F8N2O4</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">2026-03-31T20:02:28Z</created-at> <updated-at type="dateTime">2026-05-20T20:33:42Z</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>CCCCC(OC1=C(C=C(C=C1)C(C)(C)CC)C(C)(C)CC)C(=O)NC1=CC=C(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(O)=C1</moldb-smiles> <moldb-formula>C33H42F8N2O4</moldb-formula> <moldb-inchi>InChI=1S/C33H42F8N2O4/c1-8-11-12-25(47-24-16-13-19(29(4,5)9-2)17-21(24)30(6,7)10-3)26(45)42-20-14-15-22(23(44)18-20)43-28(46)32(38,39)33(40,41)31(36,37)27(34)35/h13-18,25,27,44H,8-12H2,1-7H3,(H,42,45)(H,43,46)/t25-/m0/s1</moldb-inchi> <moldb-inchikey>YQTBVQGDWOBHRU-VWLOTQADSA-N</moldb-inchikey> <moldb-average-mass type="decimal">682.696</moldb-average-mass> <moldb-mono-mass type="decimal">682.301683</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2342607</chemspider-id> <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>CHEM057599</chemdb-id> <dsstox-id>DTXSID30880958</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00011146</susdat-id> <iupac>(2S)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-hydroxy-4-(2,2,3,3,4,4,5,5-octafluoropentanoylamino)phenyl]hexanamide</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"/> </compound>