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66778-36-7 分子结构
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4-methoxy-N-{2-[1-(piperidin-1-yl)propan-2-yl]phenyl}benzamide

ChemBase编号:1097
分子式:C22H28N2O2
平均质量:352.46992
单一同位素质量:352.21507815
SMILES和InChIs

SMILES:
O=C(Nc1c(C(CN2CCCCC2)C)cccc1)c1ccc(OC)cc1
Canonical SMILES:
COc1ccc(cc1)C(=O)Nc1ccccc1C(CN1CCCCC1)C
InChI:
InChI=1S/C22H28N2O2/c1-17(16-24-14-6-3-7-15-24)20-8-4-5-9-21(20)23-22(25)18-10-12-19(26-2)13-11-18/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H,23,25)
InChIKey:
VOVAEUFPROBLAL-UHFFFAOYSA-N

引用这个纪录

CBID:1097 http://www.chembase.cn/molecule-1097.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
4-methoxy-N-{2-[1-(piperidin-1-yl)propan-2-yl]phenyl}benzamide
IUPAC传统名
(+)-isomer encainide
商标名
Enkaid
别名
Encainida [Spanish]
Encainide [French]
Encainidum [Latin]
Encainide
CAS号
66778-36-7
PubChem SID
160964560
PubChem CID
48033

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
DrugBank DB01228 external link
PubChem 48033 external link
数据来源 数据ID 价格

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 12.276945  质子受体
质子供体 LogD (pH = 5.5) 1.0392171 
LogD (pH = 7.4) 2.4888701  Log P 4.352856 
摩尔折射率 107.966 cm3 极化性 40.920128 Å3
极化表面积 41.57 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 4.63  LOG S -4.87 
溶解度 4.77e-03 g/l 

分子性质

分子性质

理化性质 生物活性(PubChem)
疏水性(logP)
4 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB01228 external link
Item Information
Drug Groups approved; withdrawn
Description All drug products containing encainide hydrochloride. Encainide hydrochloride, formerly marketed as Enkaid capsules, was associated with increased death rates in patients who had asymptomatic heart rhythm abnormalities after a recent heart attack. The manufacturer of Enkaid capsules voluntarily withdrew the product from the US market on December 16, 1991.
Indication Encainide is a class Ic antiarrhythmic agent which was used for management of irregular heartbeats, such as atrial fibrillation, atrial flutter, ventricular tachycardia, and ventricular fibrillation.
Pharmacology Used to treat irregular heartbeats, encainide decreases excitability, conduction velocity, and automaticity as a result of slowed atrial, atrioventricular (AV) nodal, His-Purkinje, and intraventricular conduction. It causes a slight but significant prolongation of refractory periods in these tissues. The greatest effect is on the His-Purkinje system. Encainide decreases the rate of rise of the action potential without markedly affecting its duration.
Affected Organisms
Humans and other mammals
Half Life 1-2 hours
Elimination A radiolabeled dose of encainide is excreted in approximately equal amounts in the urine and feces.
External Links
Wikipedia

参考文献

参考文献

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专利

专利

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