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

• ChemBase编号: 177984
• 分子式: C10H16ClNO
• 平均质量: 201.69314
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: (3R)-3-(prop-2-yn-1-yloxy)-1-azabicyclo[2.2.2]octane hydrochloride
• IUPAC传统名: talsaclidine hydrochloride
• 别名: (R)-3-(2-Propynyloxy)-1-azabicyclo[2.2.2]octane Hydrochloride; Talsaclidine Hydrochloride

登记号

• PubChem SID: 164233894
• PubChem CID: 46782967

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -2.3355896
• LogD (pH = 7.4): -0.64793724
• Log P: 0.7282815
• 摩尔折射率: 48.563 cm^3
• 极化性: 18.811037 Å^3
• 极化表面积: 12.47 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Beige Solid
• 熔点: 138-142°C

详细说明

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

参考文献

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