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Gabapentin enacarbil

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Name

Gabapentin enacarbil

EINECS
CAS No. 478296-72-9 Density 1.135 g/cm3
Solubility Melting Point 65 °C
Formula C16H27NO6 Boiling Point 482.021 °C at 760 mmHg
Molecular Weight 329.39 Flash Point 245.318 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 478296-72-9 (Cyclohexaneacetic acid,1-[[[[1-(2-methyl-1-oxopropoxy)ethoxy]carbonyl]amino]methyl]-) Hazard Symbols
Synonyms

Gabapentinenacarbil;XP 13512;1-[[[[1-(2-Methyl-1-oxopropoxy)ethoxy]carbonyl]amino]methyl]cyclohexaneacetic acid;

 

Specification

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: 101.93Å2; (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

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