Talniflumate

Biological Activity:Talniflumate is Calcium-activated chloride channel (hCLCA1/mCLCA3) blocker;it reduces mucin synthesis and release in cell culture and animal models.It also possesses anti-inflammatory actions via inhibition of cyclooxygenases and inhibits Cl^-/HCO₃^- exchanger activity.It may increase survival in a cystic fibrosis mouse model of distal intestinal obstructive syndrome.

The Talniflumate is an organic compound with the formula C₂₁H₁₃F₃N₂O₄. The IUPAC name of this chemical is (3-oxo-1H-2-benzofuran-1-yl)2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate. With the CAS registry number 66898-62-2, it is also named as 2-[[3-(Trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic Acid 1,3-Dihydro-3-oxo-1-isobenzofuranyl Ester. The product's classification codes are Analgesic; Anti-inflammatory; Drug / Therapeutic Agent.

Physical properties about Talniflumate are: (1)ACD/LogP: 5.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.59; (4)ACD/LogD (pH 7.4): 5.59; (5)ACD/BCF (pH 5.5): 10395.56; (6)ACD/BCF (pH 7.4): 10411.75; (7)ACD/KOC (pH 5.5): 26100.85; (8)ACD/KOC (pH 7.4): 26141.49; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.73 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 98.14 cm³; (15)Molar Volume: 277.5 cm³; (16)Polarizability: 38.9×10^-24cm³; (17)Surface Tension: 60.2 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 277.1 °C; (20)Enthalpy of Vaporization: 81.08 kJ/mol; (21)Boiling Point: 534.6 °C at 760 mmHg; (22)Vapour Pressure: 1.67E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)OC4OC(=O)c3ccccc34
(2)InChI: InChI=1/C21H13F3N2O4/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20/h1-11,20H,(H,25,26)
(3)InChIKey: ANMLJLFWUCQGKZ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C21H13F3N2O4/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20/h1-11,20H,(H,25,26)
(5)Std. InChIKey: ANMLJLFWUCQGKZ-UHFFFAOYSA-N