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CHEBI:42797 - gabapentin

ChEBI IDCHEBI:42797
ChEBI Namegabapentin
Stars
DefinitionA γ-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome.
Secondary ChEBI IDCHEBI:5237
Last Modified22 February 2017
DownloadsMolfile

FormulaC9H17NO2
Net Charge0
Average Mass171.240
Monoisotopic Mass171.12593
SMILESNCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
InChIKeyUGJMXCAKCUNAIE-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
[1-(aminomethyl)cyclohexyl]acetic acid
INNs  Source
gabapentinKEGG DRUG
gabapentinum  laDrugBank
gabapentina  esWHO MedNet
gabapentine  frDrugBank
Synonym  Source
1-(Aminomethyl)cyclohexaneacetic acidChemIDplus
Brand Name  Source
NeurontinDrugBank
Manual XrefsDatabases
GBNPDBeChem
GabapentinWikipedia
D00332KEGG DRUG
DB00996DrugBank
US2012046272Patent
WO2010023694Patent
US2009043126Patent
EP1140793Patent
US2009292138Patent
WO2008060572Patent
US2008103334Patent
US2008269326Patent
WO2005037784Patent
HMDB0005015HMDB
LSM-5716LINCS
1264DrugCentral
2975VSDB
Registry NumbersSources
Reaxys:2359739Reaxys
CAS:60142-96-3KEGG DRUG
CAS:60142-96-3ChemIDplus
Citations