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Chemical structure of Gabapentin enacarbil

GC36097

Gabapentin enacarbil

Also known as 2-[1-[[1-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid

Gabapentin enacarbil (XP-13512) is a prodrug for the anticonvulsant and analgesic drug gabapentin

ChemicalCAS478296-72-9MW329.39FormulaC16H27NO6
CAS number
478296-72-9
Molecular weight
329.39
Formula
C16H27NO6
Solubility
DMSO: ≥ 100 mg/mL (303·59 mM); Ethanol: 100 mg/mL (303·59 mM); Water: < 0·1 mg/mL (insoluble)
InChIKey
TZDUHAJSIBHXDL-UHFFFAOYSA-N
Catalogue number
GC36097
Brand
GLPBIO
Computed properties PubChem CID 9883933 · XLogP 3.1 · TPSA 102 Ų · H-bond donors 2
XLogP
3.1
TPSA
102 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
23

SMILES CC(C)C(=O)OC(C)OC(=O)NCC1(CCCCC1)CC(=O)O

Computed descriptors from PubChem (CID 9883933), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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