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CHEBI:84507 - varenicline tartrate

ChEBI IDCHEBI:84507
ChEBI Namevarenicline tartrate
Stars
DefinitionA tartrate salt obtained by reaction of varenicline with one equivalent of (R,R)-tartaric acid. A partial agonist for nicotinic cholinergic receptors, it is used as an aid to giving up smoking.
Last Modified26 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC13H13N3.C4H6O6
Net Charge0
Average Mass361.354
Monoisotopic Mass361.12739
SMILESO=C(O)[C@H](O)[C@@H](O)C(=O)O.c1cnc2cc3c(cc2n1)C1CNCC3C1
InChIInChI=1S/C13H13N3.C4H6O6/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;5-1(3(7)8)2(6)4(9)10/h1-2,4-5,8-9,14H,3,6-7H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyTWYFGYXQSYOKLK-LREBCSMRSA-N
Roles Classification
Biological Roles:
serotonergic agonist  An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
nicotinic acetylcholine receptor agonist  An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
Applications:
serotonergic agonist  An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
nicotinic acetylcholine receptor agonist  An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
ChEBI Ontology
Outgoing Relation(s)
varenicline tartrate (CHEBI:84507) has part varenicline(1+) (CHEBI:84508)
varenicline tartrate (CHEBI:84507) has role nicotinic acetylcholine receptor agonist (CHEBI:47958)
varenicline tartrate (CHEBI:84507) has role serotonergic agonist (CHEBI:35941)
varenicline tartrate (CHEBI:84507) is a tartrate salt (CHEBI:50562)
IUPAC Names 
7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinic acid
7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxalin-8-ium (2R,3R)-3-carboxy-2,3-dihydroxypropanoate
Synonyms  Source
CP-526,555-18ChemIDplus
CP 526555-18ChemIDplus
7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino(2,3-h)(3)benzazepine (2R,3R)-2,3-dihydroxybutanedioateChemIDplus
varenicline monotartrateChEBI
Brand Names  Source
ChantixKEGG DRUG
ChampixChemIDplus
Manual XrefsDatabases
D06282KEGG DRUG
DB01273DrugBank
Registry NumbersSources
Reaxys:14347664Reaxys
CAS:375815-87-5KEGG DRUG
CAS:375815-87-5ChemIDplus
Citations