Gabapentin Enacarbil
2-[1-[[1-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid
Molecular Identity
Gabapentin Enacarbil
2-[1-[[1-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid
PubChem CID: 9883933
Gabapentin enacarbil is a carbamate ester that is the N-[1-(isobutyryloxy)ethoxy]carbonyl derivative of [1-(aminomethyl)cyclohexyl]acetic acid. The prodrug for gabapentin, used for treatment of neuropathic pain and restless legs syndrome. It has a role as an anticonvulsant, a calcium channel blocker and a prodrug. It is a carbamate ester, a monocarboxylic acid, a carboxylic ester and an acetal. It is functionally related to a gamma-aminobutyric acid and a gabapentin.
2D Structure
Properties
C16H27NO6
Molecular Formula
329.39
Molecular Weight
g/mol
329.1838
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
428
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(=O)OC(C)OC(=O)NCC1(CCCCC1)CC(=O)OIsomeric SMILES
SMILES: CC(C)C(=O)OC(C)OC(=O)NCC1(CCCCC1)CC(=O)OSynonyms(20)
Gabapentin enacarbil478296-72-9HorizantRegniteXP-13512XP13512ASP8825gabapentine enacarbilXP 13512gabapentina enacarbilogabapentinum enacarbilumGSK183826275OCL1SPBQASP-88252-[1-[[1-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid
Data from PubChem (NCBI)
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Trials and conditions connected to Gabapentin Enacarbil
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