loading...| Preferred Name | gabapentin enacarbil | |
| Synonyms |
Horizant XP 13512 gabapentin enacarbil gabapentina enacarbilo XP-13512 XP13512 gabapentine enacarbil gabapentinum enacarbilum {1-[({[1-(isobutyryloxy)ethoxy]carbonyl}amino)methyl]cyclohexyl}acetic acid |
|
| Definitions |
A carbamate ester that is the N-[1-(isobutyryloxy)ethoxy]carbonyl derivative of [1-(aminomethyl)cyclohexyl]acetic acid. The prodrug for gabapentin, used for treatment of neuropathic pain and restless legs syndrome. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_68840 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:21255527 PMID:22878573 PMID:22422817 PMID:21527006 Patent:US2007049626 PMID:20511481 PMID:22206794 PMID:22851801 PMID:20200691 PMID:21611981 PMID:22325733 PMID:22036917 Patent:WO2005037784 PMID:21627766 PMID:21476956 Patent:WO2010063002 Drug_Central:4177 PMID:22664749 Patent:WO2008073257 Reaxys:10188772 PMID:21179617 PMID:20573085 Patent:US2006229361 PMID:22937989 PMID:21897349 PMID:22570552 PMID:21677899 Patent:WO2006050514 PMID:21242741 CAS:478296-72-9 PMID:22298601 Patent:WO2005066122 PMID:20629607 PMID:22077768 Wikipedia:Gabapentin_enacarbil PMID:22849331 |
|
| definition |
A carbamate ester that is the N-[1-(isobutyryloxy)ethoxy]carbonyl derivative of [1-(aminomethyl)cyclohexyl]acetic acid. The prodrug for gabapentin, used for treatment of neuropathic pain and restless legs syndrome. |
|
| formula |
C16H27NO6 |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_38215 |
|
| has_exact_synonym |
{1-[({[1-(isobutyryloxy)ethoxy]carbonyl}amino)methyl]cyclohexyl}acetic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Horizant XP 13512 gabapentin enacarbil gabapentina enacarbilo XP-13512 XP13512 gabapentine enacarbil gabapentinum enacarbilum |
|
| id |
CHEBI:68840 |
|
| in_subset | ||
| 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) |
|
| inchikey |
TZDUHAJSIBHXDL-UHFFFAOYSA-N |
|
| label |
gabapentin enacarbil |
|
| mass |
329.38870 |
|
| monoisotopicmass |
329.18384 |
|
| notation |
CHEBI:68840 |
|
| prefLabel |
gabapentin enacarbil |
|
| smiles |
CC(C)C(=O)OC(C)OC(=O)NCC1(CCCCC1)CC(O)=O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_33308 http://purl.obolibrary.org/obo/CHEBI_25384 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33308 http://purl.obolibrary.org/obo/CHEBI_25384 |