基本情報
- CAS
72487-32-2- 標準SMILES
C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1- InChIKey
SGUAFYQXFOLMHL-ACJLOTCBSA-N- 分子式
- C19H24N2O3
- 平均分子量
- 328.4 g/mol
- 単同位体質量
- 328.17869263
概要
(R,R)-labetalol is a 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1R,2R-configuration. It is a conjugate base of a dilevalol(1+).
名称と識別子
- 優先名称
- (+)-Labetalol
- IUPAC
- 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide
- 現地名
- 2-ヒドロキシ-5-[(1R)-1-ヒドロキシ-2-[[(1R)-1-メチル-3-フェニルプロピル]アミノ]エチル]ベンズアミド
- 英語名
- DILEVALOL
- 分子式
- C19H24N2O3
- 分子量
- 328.41
名称と別名
Dilevalol75659-07-3DilevalolumP6629XE33TBenzamide, 2-hydroxy-5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)-, (R-(R*,R*))-Benzamide, 2-hydroxy-5-((1R)-1-hydroxy-2-(((1R)-1-methyl-3-phenylpropyl)amino)ethyl)-(+)-LabetalolR,R LabetalolR,R-LabetalolLabetalol (r,r)-Labetalol, (R,R)-RefChem:905472
名称をさらに表示
ジレバロール2-ヒドロキシ-5-[(R)-1-ヒドロキシ-2-[[(R)-1-メチル-3-フェニルプロピル]アミノ]エチル]ベンズアミド2-ヒドロキシ-5-[(1R)-1-ヒドロキシ-2-[[(1R)-1-メチル-3-フェニルプロピル]アミノ]エチル]ベンズアミド5-[(R)-1-ヒドロキシ-2-[[(R)-1-メチル-3-フェニルプロピル]アミノ]エチル]サリチルアミド2-ヒドロキシ-5-[(1R)-1-ヒドロキシ-2-{[(2R)-4-フェニルブタン-2-イル]アミノ}エチル]ベンズアミドUnicardDilevaolSch-19927DILEVALOL HCLDilevalolum [latin]
(R,R)-Labetalol2-Hydroxy-5-((R)-1-hydroxy-2-(((R)-4-phenylbutan-2-yl)amino)ethyl)benzamide72487-32-22-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide2-Hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-1-methyl-3-phenylpropyl]amino]ethyl]benzamideDilevalonLevadil2-Hydroxy-5-((1R)-1-hydroxy-2-(((1R)-1-methyl-3-phenylpropyl)amino)ethyl)benzamide
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 95.6 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 4
- 回転可能結合数
- 8
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 385
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
物理化学的性質
- 沸点
- 552.7 · 552.7±50.0 °C(Predicted)
- 比重(密度)
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 8.21 · 8.21±0.31(Predicted)
化学と産業
薬理情報
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.
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Drugs that bind to and block the activation of ADRENERGIC ALPHA-1 RECEPTORS.
応用分野
説明Dilevalol is a "dual-mechanism" antihypertensive reportedly suitable for a wide range of patients. Its partial beta2-agonist action is expected to induce vasodilation, whereas its beta1-antagonist component may protect against stress-induced hemodynamic charges without altering the cardiac output. Dilevalol is the R,R-isomer of labetalol.
使用Specific competitive antagonist at both α-and β-adrenergic receptor sites. Antihypertensive.
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