1-(5-fluoropentyl)-3-[2-iodo(2H4)benzoyl]-1H-indole

• ChemBase编号: 159757
• 分子式: C20H19FINO
• 平均质量: 435.2738332
• 单一同位素质量: 435.04954045
• SMILES: c1ccc2c(c1)c(cn2CCCCCF)C(=O)c1ccccc1I
• Canonical SMILES: FCCCCCn1cc(c2c1cccc2)C(=O)c1ccccc1I
• InChI: InChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2
• InChIKey: LFFIIZFINPPEMC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(5-fluoropentyl)-3-[2-iodo(^2H₄)benzoyl]-1H-indole
• IUPAC传统名: 1-(5-fluoropentyl)-3-[2-iodo(^2H₄)benzoyl]indole
• 别名: [1-(5-Fluoropentyl)-1H-indol-3-yl](2-iodophenyl-d4)methanone; AM694-d4; 1-(5-Fluoropentyl)-3-(2-iodobenzoyl-d4)indole; AM-694-d4

登记号

• PubChem SID: 162253892
• PubChem CID: 71313125

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.9068623
• LogD (pH = 7.4): 5.9068623
• Log P: 5.9068623
• 摩尔折射率: 104.6904 cm^3
• 极化性: 40.978767 Å^3
• 极化表面积: 22.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Pale Yellow Solid
• 熔点: 106-109°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - A575827

The labelled analogue of a synthetic cannabimimetic indole derivative which acts as a potent and selective agonist for the cannabinoid receptor CB1.

参考文献

• Willis P.G. et al.: J. Lab. Cpd. Radiopharmac., 46, 799 (2003)