19341 <common-name>Triflusal</common-name> <description>Triflusal is an organic compound with the formula C10H7F3O4 and an average molecular weight of 248.16 g/mol. Triflusal belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified within the superclass of benzenoids. The compound interacts with four recorded protein targets. It acts as an agonist or antagonist of Prostaglandin G/H synthase 1 (PTGS1), Nuclear factor NF-kappa-B p105 subunit (NFKB1), Nitric oxide synthase, inducible (NOS2), and cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A).</description> <cas>322-79-2</cas> <pubchem-id>23616794</pubchem-id> <chemical-formula>C10H7F3O4</chemical-formula> <weight>248.15</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">2016-05-22T05:04:56Z</created-at> <updated-at type="dateTime">2026-08-18T04:34:57Z</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>DB08814</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>CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(O)=O</moldb-smiles> <moldb-formula>C10H7F3O4</moldb-formula> <moldb-inchi>InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)</moldb-inchi> <moldb-inchikey>RMWVZGDJPAKBDE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">248.157</moldb-average-mass> <moldb-mono-mass type="decimal">248.029643194</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.12</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>CHEM018236</chemdb-id> <dsstox-id>DTXSID8045305</dsstox-id> <toxcast-id>45305</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-(acetyloxy)-4-(trifluoromethyl)benzoic acid</iupac> <moldb-polar-surface-area>63.60000000000001</moldb-polar-surface-area> <moldb-refractivity>50.420300000000005</moldb-refractivity> <moldb-polarizability>19.320605911759145</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>3.3857319121006535</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.144951074329635</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.40</moldb-alogps-logp> <moldb-alogps-logs>-2.55</moldb-alogps-logs> <moldb-alogps-solubility>6.96e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer">531</paper-count> <sync-id>CED0010836</sync-id> <structure-inchikey>RMWVZGDJPAKBDE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000002000000000000000000000000000000000000000000000000000000000000000000004000000000000000080000000000000000000000000000000000000000000000020000000000100000000000000000000000000014000000000000000100000000000000000000000000000000000400010010040000000000000000000000000000000000000000000000000080000000000000000000000000000080000000040000000040008000000000000200000000000001000000008800000000000400000000000000040000200000100000000000000000000000040000000000400800000000020000100000000000000</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�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:07:35Z</structure-indexed-at> </compound>