U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H27NO6
Molecular Weight 329.3887
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Gabapentin enacarbil, (S)-

SMILES

CC(C)C(=O)O[C@H](C)OC(=O)NCC1(CC(O)=O)CCCCC1

InChI

InChIKey=TZDUHAJSIBHXDL-LBPRGKRZSA-N
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)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H27NO6
Molecular Weight 329.3887
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:14:21 GMT 2025
Edited
by admin
on Mon Mar 31 23:14:21 GMT 2025
Record UNII
D94N45262W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOHEXANEACETIC ACID, 1-((((1-(2-METHYL-1-OXOPROPOXY)ETHOXY)CARBONYL)AMINO)METHYL)-, (S)-
Preferred Name English
Gabapentin enacarbil, (S)-
Common Name English
Cyclohexaneacetic acid, 1-[[[[(1S)-1-(2-methyl-1-oxopropoxy)ethoxy]carbonyl]amino]methyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
D94N45262W
Created by admin on Mon Mar 31 23:14:21 GMT 2025 , Edited by admin on Mon Mar 31 23:14:21 GMT 2025
PRIMARY
PUBCHEM
57503823
Created by admin on Mon Mar 31 23:14:21 GMT 2025 , Edited by admin on Mon Mar 31 23:14:21 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER