1-azabicyclo[2.2.2]octan-3-yl acetate hydrochloride

• ChemBase编号: 86837
• 分子式: C9H16ClNO2
• 平均质量: 205.68184
• 单一同位素质量: 205.08695644
• SMILES: N12CCC(CC1)C(C2)OC(=O)C.Cl
• Canonical SMILES: CC(=O)OC1CN2CCC1CC2.Cl
• InChI: InChI=1S/C9H15NO2.ClH/c1-7(11)12-9-6-10-4-2-8(9)3-5-10;/h8-9H,2-6H2,1H3;1H
• InChIKey: LWWSARSTZGNKGV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-azabicyclo[2.2.2]octan-3-yl acetate hydrochloride
• IUPAC传统名: aceclidine hydrochloride
• 别名: 3-Acetoxyquinuclidine hydrochloride; Aceclidine hydrochloride; 1-Azabicyclo[2.2.2]oct-3-yl acetate hydrochloride; 3-Acetyloxy-1-azabicyclo[2,2,2]octane Hydrochloride; Glaucostat; Acetate-3-quinuclidinol Hydrochloride; Aceclidine Hydrochloride

登记号

• CAS号: 6109-70-2
• MDL号: MFCD00136230
• PubChem SID: 162073953
• PubChem CID: 170367

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -2.9803638
• LogD (pH = 7.4): -1.4757626
• Log P: 0.29819736
• 摩尔折射率: 45.3831 cm^3
• 极化性: 18.148947 Å^3
• 极化表面积: 29.54 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: Methanol; Water
• 外观: White Solid
• 熔点: 172-175°C; 172-175°C

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: Irritant/Moisture Sensitive/Store at -20°C

详细说明

Apollo Scientific Ltd - OR3000T

Aceclidine is a synthetic analogue of arecoline, a natural cholinomimetic alkaloid.

Toronto Research Chemicals - A130000

Aceclidine is a synthetic analogue of Arecoline, a natural cholinomimetic alkaloid. Aceclidine acts as an agonist at cholinergic receptors and has therapeutic use to reduce intraocular pressure in glaucoma.

参考文献

• Hubbard, W. C., et al.: Ophthalmol., 210, 303 (1996)
• Romano, J.H., et al.: Br. J. Ophthalmol., 54, 510 (1996)