Cyclohexaneacetic acid,1-[[[[1-(2-methyl-1-oxopropoxy)ethoxy]carbonyl]amino]methyl]- (478296-72-9)

The cas register number of Gabapentin enacarbil is 478296-72-9. It also can be called as 1-[[[[1-(2-Methyl-1-oxopropoxy)ethoxy]carbonyl]amino]methyl]cyclohexaneacetic acid and the IUPAC Name about this chemical is 2-[1-[[1-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl] acetic acid. Classification Code about this chemical is Treatment of neuropathic pain and restless legs syndrome.

Physical properties about Gabapentin enacarbil are: (1)ACD/LogP: 2.66; (2)ACD/LogD (pH 5.5): 2; (3)ACD/BCF (pH 5.5): 18; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 161; (6)ACD/KOC (pH 7.4): 3; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 101.93Ų; (11)Index of Refraction: 1.481; (12)Molar Refractivity: 82.653 cm³; (13)Molar Volume: 290.229 cm³; (14)Polarizability: 32.766x10^-24cm³; (15)Surface Tension: 43.548 dyne/cm; (16)Enthalpy of Vaporization: 81.797 kJ/mol.

Gabapentin enacarbil is a gabapentin prodrug. It can be used for the anticonvulsant and analgesic drug gabapentin, but this chemical was denied approval by the FDA in February 2010, citing concerns about possible increased cancer risk shown by some animal studies.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C(=O)OC(C)OC(=O)NCC1(CCCCC1)CC(=O)O
(2)InChI: InChI=1S/C16H27NO6/c1-11(2)14(20)22-12(3)23-15(21)17-10-16(9-13(18)19)7-5-4-6-8-16/h11-12H,4-10H2,1-3H3,(H,17,21)(H,18,19)
(3)InChIKey: TZDUHAJSIBHXDL-UHFFFAOYSA-N