{2-[2,6-diiodo-4-(2-pentyl-1-benzofuran-3-carbonyl)phenoxy]ethyl}diethylamine hydrochloride

• ChemBase编号: 155450
• 分子式: C26H32ClI2NO3
• 平均质量: 695.79912
• 单一同位素质量: 695.01601757
• SMILES: CCCCCc1c(c2ccccc2o1)C(=O)c1cc(c(c(c1)I)OCCN(CC)CC)I.Cl
• Canonical SMILES: CCCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2.Cl
• InChI: InChI=1S/C26H31I2NO3.ClH/c1-4-7-8-13-23-24(19-11-9-10-12-22(19)32-23)25(30)18-16-20(27)26(21(28)17-18)31-15-14-29(5-2)6-3;/h9-12,16-17H,4-8,13-15H2,1-3H3;1H
• InChIKey: DBZSHZLTNYTZJM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[2,6-diiodo-4-(2-pentyl-1-benzofuran-3-carbonyl)phenoxy]ethyl}diethylamine hydrochloride
• IUPAC传统名: {2-[2,6-diiodo-4-(2-pentyl-1-benzofuran-3-carbonyl)phenoxy]ethyl}diethylamine hydrochloride
• 别名: 2-Butyl-3-benzofuranyl-4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl ketone hydrochloride; Amiodarone hydrochloride

登记号

• CAS号: 19774-82-4
• EC号: 243-293-2
• MDL号: MFCD00069204
• PubChem SID: 162249588; 24277818
• PubChem CID: 16218974

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.22398
• LogD (pH = 7.4): 6.9790454
• Log P: 8.07999
• 摩尔折射率: 149.6558 cm^3
• 极化性: 58.810123 Å^3
• 极化表面积: 42.68 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

安全信息

• RTECS编号: OB1361000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/21/22
• 安全公开号: 36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H312-H332
• GHS警示性声明: P280
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98%
• 级别: certified reference material
• 包装: pkg of 1 g
• Pharmacopeia Traceability: traceable to BP 532; traceable to PhEur A0575000; traceable to USP 1027302
• Empirical Formula (Hill Notation): C25H29I2NO3 · HCl

详细说明

Sigma Aldrich - A8423

Application
Amiodarone hydrochloride is a non-selective ion channel blocker with broad fungicidal activity. Amiodarone induces an immediate influx of Ca2+ in Saccharomyces cerevisiae, followed by mitochondrial fragmentation and cell death. Amiodarone hydrochloride has also been used in a study to determine concentrations of thyroid disrupting substances in effluents from wastewater treatment plants.
Biochem/physiol Actions
Non-selective ion channel blocker with broad fungicidal activity. Amiodarone induces an immediate influx of Ca2+ in Saccharomyces cerevisiae, followed by mitochondrial fragmentation and cell death.1

Sigma Aldrich - PHR1164

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.
Biochem/physiol Actions
Non-selective ion channel blocker with broad fungicidal activity. Amiodarone induces an immediate influx of Ca2+ in Saccharomyces cerevisiae, followed by mitochondrial fragmentation and cell death.1