(3R)-3-(prop-2-yn-1-yloxy)-1-azabicyclo[2.2.2]octane

• ChemBase ID: 129692
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: O([C@@H]1C2CCN(CC2)C1)CC#C
• Canonical SMILES: C#CCO[C@H]1CN2CCC1CC2
• InChI: InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1
• InChIKey: XVFJONKUSLSKSW-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-(prop-2-yn-1-yloxy)-1-azabicyclo[2.2.2]octane
• IUPAC Traditional name: talsaclidine
• Synonyms: Talsaclidine; (R)-3-(2-Propynyloxy)-1-azabicyclo[2.2.2]octane

Database IDs

• CAS Number: 147025-53-4
• PubChem SID: 162223981
• PubChem CID: 71792
• Chemspider ID: 64819
• Unique Ingredient Identifier: 1O8VSL798T
• Wikipedia Title: Talsaclidine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.3355896
• LogD (pH = 7.4): -0.64793724
• Log P: 0.7282815
• Molar Refractivity: 48.563 cm^3
• Polarizability: 18.811037 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate
• Apperance: Brown Oil

Pharmacology Properties

• Bioavailability: 70%
• Excretion: Renal (86%)
• Protein Bound: 7%

DETAILS

Toronto Research Chemicals - T005600

Talsaclidine, a novel M1-receptor selective muscarinic agonist for cholinergic substitution therapy of Alzheimer's disease. Treatment with the selective muscarinic m1 agonist talsaclidine decreases cerebrospinal fluid levels of A beta 42 in patients with

REFERENCES

• Hock, et al.: Amyloid, 10(1)
• 1 (1)
• Moreau, M., et al.: J. Pharmacol. Sci., 99, 6 (1)