N-ethyl-3-hydroxy-N,N-dimethylanilinium

• ChemBase编号: 883
• 分子式: C10H16NO+
• 平均质量: 166.24014
• 单一同位素质量: 166.12318914
• SMILES: Oc1cc([N+](CC)(C)C)ccc1
• Canonical SMILES: CC[N+](c1cccc(c1)O)(C)C
• InChI: InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
• InChIKey: VWLHWLSRQJQWRG-UHFFFAOYSA-O

名称和登记号

名称

• IUPAC标准名: N-ethyl-3-hydroxy-N,N-dimethylanilinium
• IUPAC传统名: edrophonium
• 商标名: Antirex; Enlon; Enlon Plus; Reversol; Tensilon; Tensilon chloride
• 别名: EDR; Edrophone Chloride; Edrophonium Chloride; Edrophonium Ion; Edrophonum; Edrophonium

登记号

• CAS号: 116-38-1
• PubChem SID: 46507530; 160964346
• PubChem CID: 3202

理论计算性质

JChem

• Acid pKa: 8.5937195
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.8696398
• LogD (pH = 7.4): -0.9596521
• Log P: -1.9138073
• 摩尔折射率: 62.4088 cm^3
• 极化性: 19.740566 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -1.55
• LOG S: -3.62
• 溶解度: 4.86e-02 g/l

分子性质

理化性质

• 溶解度: Appreciable as liquid hydrochloride salt
• 疏水性(logP): -2.95

详细说明

DrugBank - DB01010

• Drug Groups: approved
• Description: A rapid-onset, short-acting cholinesterase inhibitor used in cardiac arrhythmias and in the diagnosis of myasthenia gravis. It has also been used as an antidote to curare principles. [PubChem]
• Indication: For the differential diagnosis of myasthenia gravis and as an adjunct in the evaluation of treatment requirements in this disease. It may also be used for evaluating emergency treatment in myasthenic crises.
• Pharmacology: Edrophonium is a short and rapid-acting anticholinesterase drug. Its effect is manifest within 30 to 60 seconds after injection and lasts an average of 10 minutes. Edrophonium's pharmacologic action is due primarily to the inhibition or inactivation of acetylcholinesterase at sites of cholinergic transmission. Nicotinic acetylcholine (nAChR)receptors are found throughout the body, especially on muscle. Stimulation of these receptors causes to muscle contraction. In myasthenia gravis the body's immune system destroys many of the nicotinic acetylcholine receptors, so that the muscle becomes less responsive to nervous stimulation. Edrophonium chloride increases the amount of acetylcholine at the nerve endings. Increased levels of acetylcholine allow the remaining receptors to function more efficiently.
• Toxicity: With drugs of this type, muscarine-like symptoms (nausea, vomiting, diarrhea, sweating, increased bronchial and salivary secretions and bradycardia) often appear with overdosage (cholinergic crisis).
• Affected Organisms: Humans and other mammals
• Absorption: Rapidly absorbed.
• Half Life: Distribution half-life is 7 to 12 minutes. Elimination half-life is 33 to 110 minutes.
• Elimination: Edrophonium is primarily renally excreted with 67% of the dose appearing in the urine.; Hepatic metabolism and biliary excretion have also been demonstrated in animals
• Distribution: * 1.6±0.4 L/kg [Adults]; * 2.2±1.5 L/kg [Children (0.08-10 yrs)]; * 1.8±1.2 L/kg [Elderly (65-75 yrs)]
• Clearance: * 6.8 +/- 2. mL/kg/min [Adults]; * 6.4 +/- 3.9 mL/kg/min [Children (0.08-10 yrs)]; * 2.9 +/- 1.9 mL/kg/min [Elderly (65-75 yrs)]
• External Links: Wikipedia; RxList; Drugs.com