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Varenicline 100mg

CAT: 0628-A10966-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A10966-100Size:100 mg
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CAS Number
249296-44-4

Chemical Information

Varenicline

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+).

CAS Number249296-44-4
PubChem CID5310966
IUPAC Name(1S,12R)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
Molecular FormulaC13H13N3
Molecular Weight211.26
XLogP0.8
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity254
SMILES
C1[C@@H]2CNC[C@H]1C3=CC4=NC=CN=C4C=C23
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
Chemical Structure
2D Structure
2D structure of Varenicline
CAS: 249296-44-4
CID: 5310966
Formula: C13H13N3
MW: 211.26
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.26
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass211.110947427
Monoisotopic Mass211.110947427
Topological Polar Surface Area37.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity254
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A10966-10Varenicline 10mg
A10966-5Varenicline 5mg
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