PROPENTOFYLLINE

The cas register number of Propentofylline is 55242-55-2. It also can be called as 3-Methyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione and the IUPAC Name about this chemical is 3-methyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione. It belongs to the following product categories, such as All Inhibitors, Inhibitors, Intermediates & Fine Chemicals, Pharmaceuticals and so on. This chemical is harmful by inhalation, in contact with skin and if swallowed.

Physical properties about Propentofylline are: (1)ACD/LogP: 1.38; (2)ACD/LogD (pH 5.5): 1.38; (3)ACD/LogD (pH 7.4): 1.38; (4)ACD/BCF (pH 5.5): 6.64; (5)ACD/BCF (pH 7.4): 6.64; (6)ACD/KOC (pH 5.5): 134.9; (7)ACD/KOC (pH 7.4): 134.9; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 75.51Ų; (11)Index of Refraction: 1.602; (12)Molar Refractivity: 83.49 cm³; (13)Molar Volume: 243.4 cm³; (14)Polarizability: 33.1x10^-24cm³; (15)Surface Tension: 47.9 dyne/cm; (16)Enthalpy of Vaporization: 81.93 kJ/mol; (17)Boiling Point: 541.4 °C at 760 mmHg; (18)Vapour Pressure: 8.71E-12 mmHg at 25°C.

Propentofylline is a phosphodiesterase inhibitor and it acts as an adenosine reuptake inhibitor. This chemical can be used as a possible treatment for Alzheimer's disease and multi-infarct dementia and it can be used in the treatment of ischemic stroke, due to its vasodilating properties.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1ncn(c1C(=O)N2CCCCC(=O)C)CCC)C
(2)InChI: InChI=1/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3
(3)InChIKey: RBQOQRRFDPXAGN-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3
(5)Std. InChIKey: RBQOQRRFDPXAGN-UHFFFAOYSA-N

The toxicity data is as follows: