loading...| Preferred Name |
tiagabine |
|
| Synonyms |
(3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid tiagabinum (R)-(-)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid (-)-(R)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid tiagabina (-)-(R)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)nipecotic acid tiagabine (R)-tiagabine |
|
| Definitions |
A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9586 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:WO8700171 CAS:115103-54-3 PMID:23770680 PMID:10530690 KEGG:C07503 Patent:US5010090 Drug_Central:2648 PMID:22592677 PMID:23997364 HMDB:HMDB0015042 DrugBank:DB00906 PMID:24500879 Reaxys:6375354 PMID:24440890 KEGG:D08588 LINCS:LSM-5700 Wikipedia:Tiagabine PMID:9449883 PMID:9097364 PMID:25663257 |
|
| definition |
A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy. |
|
| formula |
C20H25NO2S2 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
(3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
tiagabinum (R)-(-)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid (-)-(R)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid tiagabina (-)-(R)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)nipecotic acid tiagabine (R)-tiagabine |
|
| id |
CHEBI:9586 |
|
| in_subset | ||
| inchi |
InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1 |
|
| inchikey |
PBJUNZJWGZTSKL-MRXNPFEDSA-N |
|
| is conjugate base of | ||
| label |
tiagabine |
|
| mass |
375.54800 |
|
| monoisotopicmass |
375.13267 |
|
| notation |
CHEBI:9586 |
|
| prefLabel |
tiagabine |
|
| smiles |
Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_26961 http://purl.obolibrary.org/obo/CHEBI_26148 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26961 http://purl.obolibrary.org/obo/CHEBI_26148 |