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Chemical structure of Varenicline (CP 526555) dihydrochloride

GC26032

Varenicline (CP 526555) dihydrochloride

Also known as 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene;dihydrochloride

Varenicline (CP 526555, Chantix, Champix,CP 526555 dihydrochloride) dihydrochloride is a potent, partial agonist of α4β2 nicotinic acetylcholine receptor (nAChR) and α3β4 nAChR with EC50 of 2·3 μM and 55 μM, respectively· Varenicline dihydrochloride is a potent, full agonist of α7 nAChRs with EC50 of 18 μM· Varenicline is a prescription medication used for smoking cessation

ChemicalCAS866823-63-4MW284.18FormulaC13H15Cl2N3
CAS number
866823-63-4
Molecular weight
284.18
Formula
C13H15Cl2N3
Solubility
DMSO: 57 mg/mL (200·58 mM);Water: 57 mg/mL (200·58 mM);Ethanol: 29 mg/mL (102·05 mM)
InChIKey
NZVVYNGXLGJKCW-UHFFFAOYSA-N
Catalogue number
GC26032
Brand
GLPBIO
Computed properties PubChem CID 45263226 · TPSA 37.8 Ų · H-bond donors 3 · H-bond acceptors 3
TPSA
37.8 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
18

SMILES C1C2CNCC1C3=CC4=NC=CN=C4C=C23.Cl.Cl

Computed descriptors from PubChem (CID 45263226), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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