3-(4-ethylnaphthalene-1-carbonyl)-1-pentyl-1H-indole

• ChemBase编号: 127954
• 分子式: C26H27NO
• 平均质量: 369.49868
• 单一同位素质量: 369.20926449
• SMILES: c1cccc2c1c(CC)ccc2C(=O)c1cn(c2c1cccc2)CCCCC
• Canonical SMILES: CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)CC
• InChI: InChI=1S/C26H27NO/c1-3-5-10-17-27-18-24(22-13-8-9-14-25(22)27)26(28)23-16-15-19(4-2)20-11-6-7-12-21(20)23/h6-9,11-16,18H,3-5,10,17H2,1-2H3
• InChIKey: LACIUQLUNACUKC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(4-ethylnaphthalene-1-carbonyl)-1-pentyl-1H-indole
• IUPAC传统名: 3-(4-ethylnaphthalene-1-carbonyl)-1-pentylindole
• 别名: (4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone; 1-Pentyl-3-(4-ethyl-naphthoyl)indoleJWH 210; JWH-210

登记号

• CAS号: 824959-81-1
• PubChem SID: 162222270
• PubChem CID: 45270396
• 维基百科标题: JWH-210

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.4709716
• LogD (pH = 7.4): 7.4709716
• Log P: 7.4709716
• 摩尔折射率: 117.1837 cm^3
• 极化性: 47.677082 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; Ethyl Acetate
• 外观: White Solid
• 熔点: 88-90°C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer

药理学性质

• 法定药品分级: Illegal in Sweden,I-N(Poland)

详细说明

Toronto Research Chemicals - P279900

An analgesic chemical which acts as a cannabinoid agonist at the CB1 and CB2 receptors.

参考文献

• Tuccinardi, T., et al.: J. Med. Chem., 49, 984 (2006)
• Rituparna, S., et al.: Lett. Drug Des. Discov., 6, 599 (2006)
• De Freitas, G., et al.: Eur. J. Med. Chem., 44, 2482 (2006)