loading...| Preferred Name | gabapentin | |
| Synonyms |
1-(Aminomethyl)cyclohexaneacetic acid gabapentinum gabapentine gabapentina Neurontin gabapentin [1-(aminomethyl)cyclohexyl]acetic acid |
|
| Definitions |
A gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_42797 |
|
| alternative term |
1-(Aminomethyl)cyclohexaneacetic acid gabapentinum gabapentine gabapentina Neurontin gabapentin [1-(aminomethyl)cyclohexyl]acetic acid |
|
| bearer_of |
http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_38215 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:22279347 Patent:US2012046272 PMID:22934077 Patent:WO2005037784 PMID:22048285 PMID:22240839 PDBeChem:GBN PMID:22865488 Patent:US2009292138 Drug_Central:1264 Wikipedia:Gabapentin Reaxys:2359739 PMID:23053645 DrugBank:DB00996 Patent:WO2008060572 Patent:EP1140793 PMID:22556282 Beilstein:2359739 PMID:22946876 PMID:22419014 PMID:22345405 PMID:22240859 PMID:22422817 HMDB:HMDB0005015 PMID:22467888 PMID:22575516 PMID:22296650 PMID:22612015 PMID:22144034 Patent:US2008269326 CAS:60142-96-3 PMID:23018586 Patent:US2009043126 PMID:22464746 LINCS:LSM-5716 PMID:22888801 Patent:WO2010023694 PMID:22352861 Patent:US2008103334 KEGG:D00332 VSDB:2975 |
|
| formula |
C9H17NO2 |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_38215 |
|
| has_alternative_id |
CHEBI:5237 |
|
| has_exact_synonym |
[1-(aminomethyl)cyclohexyl]acetic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
1-(Aminomethyl)cyclohexaneacetic acid gabapentinum gabapentine gabapentina Neurontin gabapentin |
|
| has_RxCUI |
25480 |
|
| id |
CHEBI:42797 |
|
| in_subset | ||
| inchi |
InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) |
|
| inchikey |
UGJMXCAKCUNAIE-UHFFFAOYSA-N |
|
| label |
gabapentin |
|
| mass |
171.23680 |
|
| monoisotopicmass |
171.12593 |
|
| notation |
CHEBI:42797 |
|
| prefixIRI |
CHEBI:42797 |
|
| prefLabel |
gabapentin |
|
| smiles |
NCC1(CCCCC1)CC(O)=O |
|
| textual definition |
A gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome. |
|
| subClassOf |