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

• ChemBase ID: 177984
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: [C@@H]1(CN2CCC1CC2)OCC#C.Cl
• Canonical SMILES: C#CCO[C@H]1CN2CCC1CC2.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-2-7-12-10-8-11-5-3-9(10)4-6-11;/h1,9-10H,3-8H2;1H/t10-;/m0./s1
• InChIKey: ATPKXEHNPAHVNR-PPHPATTJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164233894
• PubChem CID: 46782967

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: Chloroform; Methanol
• Apperance: Beige Solid
• Melting Point: 138-142°C

DETAILS

Toronto Research Chemicals - T005601

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)