loading...| Preferred Name |
varenicline |
|
| Synonyms |
7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline vareniclina varenicline 7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino(2,3-h)(3)benzazepine vareniclinum |
|
| Definitions |
An organic heterotetracyclic compound that acts as a partial agonist for nicotinic cholinergic receptors and is used (in the form of its tartate salt) as an aid to giving up smoking. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_84500 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:24856597 Wikipedia:Varenicline PMID:25062287 Reaxys:10668886 PMID:25449275 KEGG:D08669 Drug_Central:2808 PMID:25616031 PDBeChem:QMR PMID:25485645 PMID:25145377 PMID:25331778 PMID:24763764 PMID:25410148 PMID:24906297 PMID:25588294 PMID:25352081 PMID:24652107 PMID:25475645 HMDB:HMDB0015398 LINCS:LSM-5358 PMID:25462656 PMID:25497715 PMID:25572451 DrugBank:DB01273 CAS:249296-44-4 PMID:24406270 PMID:24949564 |
|
| definition |
An organic heterotetracyclic compound that acts as a partial agonist for nicotinic cholinergic receptors and is used (in the form of its tartate salt) as an aid to giving up smoking. |
|
| formula |
C13H13N3 |
|
| has role | ||
| has_exact_synonym |
7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
vareniclina varenicline 7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino(2,3-h)(3)benzazepine vareniclinum |
|
| id |
CHEBI:84500 |
|
| in_subset | ||
| inchi |
InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+ |
|
| inchikey |
JQSHBVHOMNKWFT-DTORHVGOSA-N |
|
| is conjugate base of | ||
| label |
varenicline |
|
| mass |
211.26240 |
|
| monoisotopicmass |
211.11095 |
|
| notation |
CHEBI:84500 |
|
| prefLabel |
varenicline |
|
| smiles |
C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_50995 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 |