{2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl}diethylamine hydrochloride

• ChemBase编号: 103905
• 分子式: C25H30ClI2NO3
• 平均质量: 681.77254
• 单一同位素质量: 681.00036751
• SMILES: Cl.CCCCc1c(C(=O)c2cc(I)c(OCCN(CC)CC)c(I)c2)c2c(o1)cccc2
• Canonical SMILES: CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2.Cl
• InChI: InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H
• InChIKey: ITPDYQOUSLNIHG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl}diethylamine hydrochloride
• IUPAC传统名: amiodarone hydrochloride; {2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl}diethylamine hydrochloride
• 别名: (2-Butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone Hydrochloride; 4-[2-(Diethylamino)ethoxy]-3,5-diiodophenyl 2-butyl-3-benzofuranyl Ketone Hydrochloride; Amiodar; Amiodaronum Hydrochloride; Ancoron; Angiodarona; Atlansil; Cordarex; Cordarone; Cordarone X; L 3428; L 3428-Labaz; Miocard; Miodaron; Ortacrone; Pacerone; Ritmocardyl; Rythmarone; SKF 33134A; Trangorex; Amiodarone Hydrochloride; 2-Butyl-3-benzofuranyl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodo-phenyl]-methanone hydrochloride; AMIODARONE; Amiodarone HCl

登记号

• CAS号: 1951-25-3; 19774-82-4
• EC号: 217-772-1
• PubChem SID: 162090887
• PubChem CID: 441325

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.7794113
• LogD (pH = 7.4): 6.5344768
• Log P: 7.6354213
• 摩尔折射率: 145.0548 cm^3
• 极化性: 56.987408 Å^3
• 极化表面积: 42.68 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: White Solid
• 熔点: 154-158°C; 156°C

安全信息

• 保存条件: -20°C Freezer; Room Temperature (15-30°C), Protect from light
• RTECS编号: OB1360000

药理学性质

• 作用靶点: Potassium Channel

产品相关信息

• 成盐信息: Hydrochloride

详细说明

MP Biomedicals - 02153535

Hydrochloride

Toronto Research Chemicals - A632950

A non-selective ion channel blocker. Antiarrhythmic (class III).

参考文献

• Bonati, M., et al.: J. Pharm. Sci., 73, 829 (1984)
• Plomp, T.A., Anal. Profiles Drug Subs., 20, 1 (1984)
• Chow, M., et al.: Ann. Pharmacother., 30, 637 (1984)
• Singh, B.N., et al.: Clin. Cardiol., 20, 608 (1984)