基本情報
- CAS
144-44-5- 標準SMILES
C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1- InChIKey
XSBSKEQEUFOSDD-UHFFFAOYSA-N- 分子式
- C15H32N2+2
- 平均分子量
- 240.43 g/mol
- 単同位体質量
- 240.25654903
概要
Pentolinium ion is a dication whose structure comprises a pentane backbone linking two 1-methylpyrrolidinium groups; a nicotinic antagonist used as a ganglionic blocking agent in hypertension. It contains a pyrrolidinium ion.
名称と識別子
- 優先名称
- Pentolinium
- IUPAC
- 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium
- 現地名
- 1,1'-(1,5-ペンタンジイル)ビス(1-メチルピロリジン-1-イウム)
- 英語名
- 1,1'-(Pentamethylene)bis(1-methylpyrrolidinium)
- 分子式
- C15H32N2+2
- 分子量
- 240.43
名称と別名
PentoliniumPentoloniumPentolonumpentolineumpentolinium ion144-44-5Pentolinium cation1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-iumULL76WPU5XDTXSID5048554CHEBI:3474011-methyl-1-(5-(1-methylpyrrolidin-1-ium-1-yl)pentyl)pyrrolidin-1-ium
名称をさらに表示
1,1'-ペンタメチレンビス(1-メチルピロリジニウム)1,1'-(1,5-ペンタンジイル)ビス(1-メチルピロリジニウム)1,1'-(1,5-ペンタンジイル)ビス[1-メチルピロリジニウム]1,1'-(1,5-ペンタンジイル)ビス(1-メチルピロリジン-1-イウム)1,1'-(ペンタメチレン)ビス(1-メチルピロリジニウム)ペントリニウム1,1'-(ペンタメチレン)ビス(1-メチルピロリジン-1-イウム)1,1′-ペンタメチレンビス(1-メチルピロリジニウム)1,1′-(1,5-ペンタンジイル)ビス(1-メチルピロリジニウム)1,5-ビス(1-メチルピロリジニウム-1-イル)ペンタン1-メチル-1-[5-(1-メチルピロリジン-1-イウム-1-イル)ペンチル]ピロリジン-1-イウム1,1′-(ペンタメチレン)ビス(1-メチルピロリジン-1-イウム)1,1′-(1,5-ペンタンジイル)ビス(1-メチルピロリジン-1-イウム)1,1′-(ペンタメチレン)ビス(1-メチルピロリジニウム)1,1′-(1,5-ペンタンジイル)ビス[1-メチルピロリジニウム]
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 6
- 重原子数
- 17
- 形式電荷
- 2
- 複雑度
- 201
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Solubility1.16e-05 g/L
Melting Point213 °C (tartrate salt)
Physical DescriptionSolid
化学と産業
薬理情報
PharmacodynamicsPentolinium acts as a ganglionic blocking agent. Pentolinium inhibits release of adrenaline and noradrenaline from adrenergic nerves. It is used as an antihypertensive, and can be administered orally, intramuscularly, and subcutaneously.
Mechanism of Action
Pentolinium binds to the nicotinic (ganglion) acetylcholine receptor. This receptor/channel is permeable to a range of divalent cations including calcium, the influx of which may activate a potassium current which hyperpolarizes the cell membrane. Blockage of the receptor leads to smooth muscle relaxation and vasodilaton.
MeSH Pharmacological Classification
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.
Agents having as their major action the interruption of neural transmission at nicotinic receptors on postganglionic autonomic neurons. Because their actions are so broad, including blocking of sympathetic and parasympathetic systems, their therapeutic use has been largely supplanted by more specific drugs. They may still be used in the control of blood pressure in patients with acute dissecting aortic aneurysm and for the induction of hypotension in surgery.
Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses.
Cellular LocationsMembrane
補足説明
定義ChEBI: A dication whose structure comprises a pentane backbone linking two 1-methylpyrrolidinium groups; a nicotinic antagonist used as a ganglionic blocking agent in hypertension.
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