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Varenicline

CAT: 0572-TRC-V215635-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V215635-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
249296-44-4
Synonyms
6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-; 7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine; CP 526555; Champix; Chantix; Varenicline
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
C1NC[C@H]2C[C@@H]1c3cc4nccnc4cc23
Molecular Formula
C13 H13 N3
Molecular Weight
211.262
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+
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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
Loading 3D structure...
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

Alternative Products

CatalogName
B1140-100Varenicline
CS-O-34534Varenicline Impurity
HY-10019SVarenicline-d4

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