基本信息
- 标准SMILES
CCCNCC(O)COc1ccc(O)cc1C(=O)CCc1ccccc1- InChIKey
LUTWDNUXHDYZRA-UHFFFAOYSA-N- 分子式
- C21H27NO4
- 平均分子量
- 357.4 g/mol
- 单同位素质量
- 357.19400834
概述
5-hydroxypropafenone is a member of phenols.
名称与标识
- 首选名称
- 5-Hydroxypropafenone
- IUPAC
- 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
- 中文名
- 5-羟基普罗帕酮
- 英文名
- 5-Hydroxy propafenone hydrochloride
- 分子式
- C21H27NO4
- 分子量
- 357.44
名称与别名
展开更多名称
数据库标识
- CAS
86384-10-3- PubChem CID
- 107927
- DTXSID
DTXSID701006775- ChEMBL
CHEMBL1264- ChEBI
CHEBI:171897- UNII
- 7AC8BF38NP
- Nikkaji
- J258.552I
性质
结构计算性质
- XLogP
- 3
- 极性表面积
- 78.8 Ų
- 氢键供体
- 3
- 氢键受体
- 5
- 可旋转键
- 11
- 重原子
- 26
- 形式电荷
- 0
- 复杂度
- 397
实验与物化性质
物理化学性质
- 熔点
- 210 · 210-216°C
- 沸点
- 564.4 · 564.4±50.0 °C(Predicted)
- 密度
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- 储存条件
- -20 °C · -20°C Freezer
- 溶解度
- DMSO (Slightly), Methanol (Slightly)
- 酸度系数(pKa)
- 9.48 · 9.48±0.20(Predicted)
- 形态
- Solid
- 颜色
- White to Light Yellow
化学与工业
药理信息
MeSH Pharmacological Classification
Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety.
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
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