基本情報
- CAS
6736-03-4- 標準SMILES
CCOP(=O)(OCC)SCC[N+](C)(C)C- InChIKey
BJOLKYGKSZKIGU-UHFFFAOYSA-N- 分子式
- C9H23NO3PS+
- 平均分子量
- 256.33 g/mol
- 単同位体質量
- 256.11362677
概要
Ecothiopate is the phosphorothioate obtained by formal condensation of diethyl phosphate with N,N,N-trimethyl-2-sulfanylethanaminium. An irreversible acetylcholinesterase inhibitor, its iodide salt is used an ocular antihypertensive in the treatment of open-angle glaucoma, particularly when other drugs have proved inadequate. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor and a miotic. It is a quaternary ammonium ion, a member of phosphocholines and an organic thiophosphate.
名称と識別子
- 優先名称
- Echothiophate
- IUPAC
- 2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium
- 現地名
- 2-(ジエトキシホスフィニルチオ)エチルトリメチルアミニウム
- 英語名
- PHOSPHOLINE
- 分子式
- C9H23NO3PS+
- 分子量
- 256.32
名称と別名
EchothiophateEcothiopateEcothiopatum6736-03-4Echothiophate ionEcothiopate cationEchothiophate cation0F350BVT6SBRN 1794025UNII-0F350BVT6SCHEBI:4753AMMONIUM, (2-MERCAPTOETHYL)TRIMETHYL-, S-ESTER with O,O-DIETHYLPHOSPHOROTHIOATE
名称をさらに表示
ホスホリンエコチオファート2-(ジエトキシホスフィニルチオ)エチルトリメチルアミニウム2-[(ジエトキシホスフィニル)チオ]-N,N,N-トリメチルエタンアミニウムN,N,N-トリメチル-2-[(ジエトキシホスフィニル)チオ]エタンアミニウムジエチル {[2-(トリメチルアザニウミル)エチル]スルファニル}ホスホナート2-(Diethoxyphosphinylthio)ethyltrimethylaminium2-[(Diethoxyphosphinyl)thio]-N,N,N-trimethylethanaminium
(2-diethoxyphosphinylthioethyl)trimethylammonium(2-Mercaptoethyl)trimethylammonium S-ester with O,O'-diethylphosphorothioateEthanaminium, 2-[(diethoxyphosphinyl)thio]-N,N,N-trimethyl-ETHANAMINIUM, 2-((DIETHOXYPHOSPHINYL)THIO)-N,N,N-TRIMETHYL-2-((diethoxyphosphoryl)sulfanyl)-N,N,N-trimethylethanaminium2-[(diethoxyphosphoryl)sulfanyl]-N,N,N-trimethylethanaminiumRefChem:569672-diethoxyphosphorylsulfanylethyl(trimethyl)azanium
データベース識別子
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 60.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 8
- 重原子数
- 15
- 形式電荷
- 1
- 複雑度
- 208
実験および物理化学的性質
LogP-2.25
Solubility
Soluble
2.97e-01 g/L
Human DrugsBreast Feeding; Lactation; Cholinesterase Inhibitors; Miotics; Parasympathomimetics
Melting Point
124-124.5
138 °C
Physical DescriptionSolid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
毒性情報
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
化学と産業
薬理情報
ATC Code
S - Sensory organs
QS - Sensory organs
Pharmacodynamics
Echothiophate Iodide is a potent, long-acting cholinesterase inhibitor used as a miotic in the treatment of glaucoma. Echothiophate iodide will depress both plasma and erythrocyte cholinesterase levels in most patients after a few weeks of eyedrop therapy.
Mechanism of Action
Echothiophate Iodide is a long-acting cholinesterase inhibitor for topical use which enhances the effect of endogenously liberated acetylcholine in iris, ciliary muscle, and other parasympathetically innervated structures of the eye. Echothiophate iodide binds irreversibly to cholinesterase, and is long acting due to the slow rate of hydrolysis by cholinesterase. It causes miosis, increase in facility of outflow of aqueous humor, fall in intraocular pressure, and potentiation of accommodation.
FDA Pharmacological Classification
0F350BVT6S
ECHOTHIOPHATE
Established Pharmacologic Class [EPC] - Cholinesterase Inhibitor
Mechanisms of Action [MoA] - Cholinesterase Inhibitors
Chemical Structure [CS] - Iodine
Echothiophate is a Cholinesterase Inhibitor. The mechanism of action of echothiophate is as a Cholinesterase Inhibitor.
Absorption, Distribution and ExcretionThis ophthalmic medication may be systemically absorbed.
Cellular LocationsCytoplasm
応用分野
使用Cholinergic (ophthalmic).
サプライヤー3 社
LGM Pharma1-(800)-881-8210 · [email protected]
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