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Gabapentin enacarbil 50mg

CAT: 0628-A20894-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A20894-50Size:50 mg
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CAS Number
478296-72-9

Chemical Information

Gabapentin Enacarbil

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.

CAS Number478296-72-9
PubChem CID9883933
IUPAC Name2-[1-[[1-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid
Molecular FormulaC16H27NO6
Molecular Weight329.39
XLogP3.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity428
SMILES
CC(C)C(=O)OC(C)OC(=O)NCC1(CCCCC1)CC(=O)O
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)
InChIKey
TZDUHAJSIBHXDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gabapentin Enacarbil
CAS: 478296-72-9
CID: 9883933
Formula: C16H27NO6
MW: 329.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.39
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass329.18383758
Monoisotopic Mass329.18383758
Topological Polar Surface Area102 Ų
Heavy Atom Count23
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FG31551-01Gabapentin enacarbil
HY-16216RGabapentin enacarbil (Standard)
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