Varenicline
(1S,12R)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
Molecular Identity
Varenicline
(1S,12R)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
PubChem CID: 5310966
Varenicline is 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. It has a role as a serotonergic agonist and a nicotinic acetylcholine receptor agonist. It is a bridged compound, an organic heterotetracyclic compound and a secondary amino compound. It is a conjugate base of a varenicline(1+).
2D Structure
Properties
C13H13N3
Molecular Formula
211.26
Molecular Weight
g/mol
211.1109
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
37.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
254
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
VareniclinevareniclinavareniclinumCP 526555CP-526,555W6HS99O8ZOCP-526555CHEBI:845007,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino(2,3-h)(3)benzazepine(1R,12S)-5,8,14-triazatetracyclo[10.3.1.0^{2,11}.0^{4,9}]hexadeca-2(11),3,5,7,9-pentaene7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino[2,3-h][3]benzazepineDTXSID40861516DTXSID70891447(1R,12S)-5,8,14-triazatetracyclo(10.3.1.0^(2,11).0^(4,9))hexadeca-2(11),3,5,7,9-pentaeneRefChem:58779
Data from PubChem (NCBI)
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