propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-(2H3)methyl(2H3)propanoate

• ChemBase编号: 168897
• 分子式: C20H21ClO4
• 平均质量: 360.83134
• 单一同位素质量: 360.11283683
• SMILES: c1c(ccc(c1)C(=O)c1ccc(cc1)OC(C(=O)OC(C)C)(C)C)Cl
• Canonical SMILES: CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C
• InChI: InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
• InChIKey: YMTINGFKWWXKFG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-(^2H₃)methyl(^2H₃)propanoate
• IUPAC传统名: isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-(^2H₃)methyl(^2H₃)propanoate
• 别名: Lipoclar-d6; Lipofene-d6; Liposit-d6; Lipsin-d6; MeltDose-d6; NSC 281319-d6; Nolipax-d6; Fenofibrate-d6; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methyl-propanoic Acid-d6 1-Methylethyl Ester; LF 178-d6; Lipanthyl-d6; Lipantil-d6; Lipidil Supra-d6; Lipirex-d6

登记号

• PubChem SID: 162263029
• PubChem CID: 25144424

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.277763
• LogD (pH = 7.4): 5.277763
• Log P: 5.277763
• 摩尔折射率: 97.1298 cm^3
• 极化性: 38.17873 Å^3
• 极化表面积: 52.6 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: Acetone; Benzene; Chloroform; Ether
• 外观: White Solid
• 熔点: 70-72°C

详细说明

Toronto Research Chemicals - F248642

Antilipemic. It is a lipid regulating drug. Increases high density lipoprotein levels by reducing cholesteryl ester transfer protein expresion.

参考文献

• Sornay, R., et al.: Arzneim.-Forsch., 26, 885 (1976)
• Wulfert, W., et al.: Artery, 9, 120 (1976)
• Chaput, et al.: Lipids, 34, 497 (1976)