varenicline (CHEBI:84500)

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ChEBI Name	varenicline

ChEBI ID	CHEBI:84500

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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C13H13N3

Net Charge

Average Mass

211.26240

Monoisotopic Mass

211.11095

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

SMILES

C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	nicotinic acetylcholine receptor agonist An agonist that selectively binds to and activates a nicotinic acetylcholine receptor. 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.

Application(s):	nicotinic acetylcholine receptor agonist An agonist that selectively binds to and activates a nicotinic acetylcholine receptor. 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.

ChEBI Ontology
Outgoing	varenicline (CHEBI:84500) has role nicotinic acetylcholine receptor agonist (CHEBI:47958) varenicline (CHEBI:84500) has role serotonergic agonist (CHEBI:35941) varenicline (CHEBI:84500) is a bridged compound (CHEBI:35990) varenicline (CHEBI:84500) is a organic heterotetracyclic compound (CHEBI:38163) varenicline (CHEBI:84500) is a secondary amino compound (CHEBI:50995) varenicline (CHEBI:84500) is conjugate base of varenicline(1+) (CHEBI:84508)

Incoming	varenicline(1+) (CHEBI:84508) is conjugate acid of varenicline (CHEBI:84500)

IUPAC Name

7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline

Synonym	Source
7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino(2,3-h)(3)benzazepine	ChemIDplus

Last Modified

22 February 2017