N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline

• ChemBase编号: 1113
• 分子式: C24H34N2O
• 平均质量: 366.53956
• 单一同位素质量: 366.26711372
• SMILES: O(CC(N1CCCC1)CN(Cc1ccccc1)c1ccccc1)CC(C)C
• Canonical SMILES: CC(COCC(N1CCCC1)CN(c1ccccc1)Cc1ccccc1)C
• InChI: InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3
• InChIKey: UIEATEWHFDRYRU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline
• IUPAC传统名: bepridil
• 商标名: Vascor
• 别名: Bepadin; Bepridil

登记号

• CAS号: 64706-54-3
• PubChem SID: 160964576; 46506353
• PubChem CID: 2351

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.2161436
• LogD (pH = 7.4): 3.7309508
• Log P: 5.4872994
• 摩尔折射率: 115.1172 cm^3
• 极化性: 44.71466 Å^3
• 极化表面积: 15.71 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

ALOGPS 2.1

• Log P: 5.33
• LOG S: -4.75
• 溶解度: 6.55e-03 g/l

分子性质

理化性质

• 溶解度: Slightly soluble
• 疏水性(logP): 5.2

详细说明

DrugBank - DB01244

• Drug Groups: approved
• Description: A long-acting calcium-blocking agent with significant anti-anginal activity. The drug produces significant coronary vasodilation and modest peripheral effects. It has antihypertensive and selective anti-arrhythmia activities and acts as a calmodulin antagonist. [PubChem]
• Indication: For the treatment of chronic stable angina (classic effort-associated angina).
• Pharmacology: Bepridil is a calcium channel blocker that has well characterized anti-anginal properties and known but poorly characterized type 1 anti-arrhythmic and anti-hypertensive properties. It is not related chemically to other calcium channel blockers such as diltiazem hydrochloride, nifedipine and verapamil hydrochloride.
• Toxicity: There has been one experience with overdosage in which a patient inadvertently took a single dose of 1600 mg of bepridil. The patient was observed for 72 hours in intensive care, but no significant adverse experiences were noted.
• Affected Organisms: Humans and other mammals
• Biotransformation: Hepatic.
• Absorption: Rapidly and completely absorbed after oral administration.
• Half Life: 24-50 hours
• Protein Binding: 99%
• External Links: Wikipedia; RxList; Drugs.com