gabapentin enacarbil   

GtoPdb Ligand ID: 7560

Synonyms: Horizant® | Regnite® | XP-13512
gabapentin enacarbil is an approved drug (FDA (2011))
Compound class: Synthetic organic
Comment: Gabapentin enacarbil is a prodrug of gabapentin. It exhibits increased bioavailability compared to gabapentin.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 101.93
Molecular weight 329.18
XLogP 3.01
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(OC(=O)C(C)C)OC(=O)NCC1(CCCCC1)CC(=O)O
Isomeric SMILES CC(OC(=O)C(C)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)
InChI Key TZDUHAJSIBHXDL-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel