127777 <common-name>Fluprophylline</common-name> <description>Fluprophylline is an organic compound with the formula C22H26F1N5O3 and an average molecular weight of 427.48 g/mol. Fluprophylline 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>85118-43-0</cas> <pubchem-id>65636</pubchem-id> <chemical-formula>C22H26F1N5O3</chemical-formula> <weight>427.5</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">2026-04-06T11:51:06Z</created-at> <updated-at type="dateTime">2026-08-21T22:26:00Z</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>DB20160</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(CCCN3CCC(CC3)C(=O)C3=CC=C(F)C=C3)C=N2)C(=O)N(C)C1=O</moldb-smiles> <moldb-formula>C22H26F1N5O3</moldb-formula> <moldb-inchi>InChI=1S/C22H26FN5O3/c1-25-20-18(21(30)26(2)22(25)31)28(14-24-20)11-3-10-27-12-8-16(9-13-27)19(29)15-4-6-17(23)7-5-15/h4-7,14,16H,3,8-13H2,1-2H3</moldb-inchi> <moldb-inchikey>IPSYNNODBHPDFB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">427.48</moldb-average-mass> <moldb-mono-mass type="decimal">427.2019679</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</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>CHEM123670</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00122310</susdat-id> <iupac>7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-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">0</paper-count> <sync-id>CED0087244</sync-id> <structure-inchikey>IPSYNNODBHPDFB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000080200000000000000000000000000000000400000000000000000000002000000000000000200000800000000000000000000000008004000000000008020000000000100000002400000000001000000000000000001000000009000000000000000000000000000002090000000002000000000010800000004000000000000000000000400000000000001000000000000024000000000010000400000000000108c00000200000008809000000a00000000000000000000000000000000000000000000002000000c000000000000200000010010000000000040000000040000000010400800000000000000000000000000000</structure-fingerprint> 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