3-(naphthalene-1-carbonyl)-1-pentyl-1H-indole

• ChemBase编号: 157487
• 分子式: C24H23NO
• 平均质量: 341.44552
• 单一同位素质量: 341.17796436
• SMILES: CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2
• Canonical SMILES: CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
• InChIKey: JDNLPKCAXICMBW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(naphthalene-1-carbonyl)-1-pentyl-1H-indole
• IUPAC传统名: 3-(naphthalene-1-carbonyl)-1-pentylindole
• 别名: 1-萘基-(1-戊基吲哚-3-基)甲酮; 1-戊基-3-(1-萘甲酰基)吲哚; 1-Pentyl-3-(1-naphthoyl)indole; JWH-018; 1-Naphthyl-(1-pentylindol-3-yl)methanone; 1-Pentyl-3-(1-naphthoyl)indole; 1-Naphthalenyl(1-pentyl-1H-indol-3-yl)methanone; JWH 018; AM 678; 1-Pentyl-3-(1-naphthoyl)indoleJWH 018

登记号

• CAS号: 209414-07-3
• MDL号: MFCD11846245
• Beilstein号: 9348161
• PubChem SID: 162251624
• PubChem CID: 10382701

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.5129814
• LogD (pH = 7.4): 6.5129814
• Log P: 6.5129814
• 摩尔折射率: 107.5415 cm^3
• 极化性: 44.069782 Å^3
• 极化表面积: 22.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Off-White Solid
• 熔点: 54-60 °C; 55-59°C

安全信息

• 保存条件: Refrigerator
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 25
• 安全公开号: 45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H413
• GHS警示性声明: P301 + P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• 毒品管制信息: USDEA Schedule I; regulated under CDSA - not available from Sigma-Aldrich Canada

产品相关信息

• 纯度: ≥98.0% (HPLC); 95+%
• 级别: analytical standard
• Empirical Formula (Hill Notation): C24H23NO

详细说明

Toronto Research Chemicals - P283650

JWH 018 is the 18th compound synthesized in a series of more than 470 analogs and metabolites of Δ9-Tetrahydro- cannabinol (THC) (T293200), the active component of marijuana. JWH 018 acts as cannabinoid receptor.Controlled substance.

参考文献

• Matsuda, L., et al.: Nature, 346, 561 (1990)
• Gerard, C., et al.: Biochem. J., 279, 129 (1990)
• Parkkari, T., et al.: Bioorg. Med. Chem., 14, 5252 (1990)
• Salo, O., et al.: J. Med. Chem., 49, 554 (1990)