128887 <common-name>Flufylline</common-name> <description>Flufylline is an organic compound with the formula C21H24F1N5O3 and an average molecular weight of 413.45 g/mol. Flufylline belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It is further classified as an organic oxygen compound and an organooxygen compound.</description> <cas>82190-91-8</cas> <pubchem-id>71255</pubchem-id> <chemical-formula>C21H24F1N5O3</chemical-formula> <weight>413.4</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">2026-04-06T12:42:52Z</created-at> <updated-at type="dateTime">2026-08-21T19:00:13Z</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>DB21020</drugbank-id> <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>CN1C2=C(N(CCN3CCC(CC3)C(=O)C3=CC=C(F)C=C3)C=N2)C(=O)N(C)C1=O</moldb-smiles> <moldb-formula>C21H24F1N5O3</moldb-formula> <moldb-inchi>InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3</moldb-inchi> <moldb-inchikey>PMEYQPKJAPXGPS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">413.453</moldb-average-mass> <moldb-mono-mass type="decimal">413.1863179</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</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>CHEM124780</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00124405</susdat-id> <iupac>7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">10</paper-count> <sync-id>CED0035482</sync-id> <structure-inchikey>PMEYQPKJAPXGPS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000080200000000080000000000000000000000000000000000000000000002000000000000000200000800000000000000000000000008004000000000008020000000000100000002000000000001000000000000000001000000001000000000000000000000000000002090000000002000000000010800000004000000000000000000000400000000000001000000000000024000000000010000400000000000108c0000020000000c809000000a00000000000000000000000000000000000000000000002000000c000000000000200000010010000000000040000000040000000000400800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������!���€���`������@(������@(������@(������@(�������`�������`������� ������`�������`�������`�������`�������`�������(�������(������@(������@h�������@h�������@(����� � �����@h�������@h�������@h�������@(������@(�������(������@(�������`������@(�������(�����������h���h���h�������������� � � ����� � �(� � ��h���h���h������h���h���h���h���h���(���h������h���(���h���h������h�B������������� ��������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:48:29Z</structure-indexed-at> </compound>