[(2-chlorophenyl)methyl](2-{[(2-{[(2-chlorophenyl)methyl]diethylazaniumyl}ethyl)carbamoyl]formamido}ethyl)diethylazanium

• ChemBase编号: 993
• 分子式: C28H42Cl2N4O2++
• 平均质量: 537.56468
• 单一同位素质量: 536.26848196
• SMILES: Clc1c(C[N+](CCNC(=O)C(=O)NCC[N+](Cc2c(Cl)cccc2)(CC)CC)(CC)CC)cccc1
• Canonical SMILES: CC[N+](Cc1ccccc1Cl)(CCNC(=O)C(=O)NCC[N+](Cc1ccccc1Cl)(CC)CC)CC
• InChI: InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2
• InChIKey: OMHBPUNFVFNHJK-UHFFFAOYSA-P

名称和登记号

名称

• IUPAC标准名: [(2-chlorophenyl)methyl](2-{[(2-{[(2-chlorophenyl)methyl]diethylazaniumyl}ethyl)carbamoyl]formamido}ethyl)diethylazanium
• IUPAC传统名: mytelase
• 商标名: Mytelase
• 别名: Ambenonum; Ambenonium

登记号

• CAS号: 7648-98-8
• PubChem SID: 46508143; 160964456
• PubChem CID: 2131

理论计算性质

JChem

• Acid pKa: 10.783874
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.6330795
• LogD (pH = 7.4): -3.6085548
• Log P: -3.6334014
• 摩尔折射率: 173.571 cm^3
• 极化性: 58.460724 Å^3
• 极化表面积: 58.2 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

ALOGPS 2.1

• Log P: 2.27
• LOG S: -8.81
• 溶解度: 9.42e-07 g/l

分子性质

理化性质

• 溶解度: Soluble

详细说明

DrugBank - DB01122

• Drug Groups: approved
• Description: Ambenonium is a cholinesterase inhibitor used in the management of myasthenia gravis. [Wikipedia]
• Indication: Ambenonium is used to treat muscle weakness due to muscle disease (myasthenia gravis).
• Pharmacology: Ambenonium, similar to pyridostigmine and neostigmine, is used for the treatment of muscle weakness and fatigue in people with myasthenia gravis. It is postulated to exert its therapeutic effect by enhancing cholinergic function through the inhibition of the acetylcholine hydrolysis by acetylcholinesterase. Increased levels of acetylcholine has peripheral effects, as acetylcholine is also used in the brain, where it tends to cause excitatory actions. The glands that receive impulses from the parasympathetic part of the autonomic nervous system are also stimulated in the same way. This is why an increase in acetylcholine causes a decreased heart rate and increased production of saliva. Ambenonium is used less commonly than neostigmine or pyridostigmine but may be preferred in patients hypersensitive to the bromide ion. Ambenonium produces fewer muscarinic side effects than neostigmine, but more than pyridostigmine.
• Toxicity: LD₅₀=150±44 mg/kg (orally in mice). Symptoms of overdose include muscle twitching, weakness and paralysis of voluntary muscles including the tongue, shoulders, neck and arms, blood pressure increase (with or without a slowing of heart rate), a sensation of internal trembling, severe anxiety, and panic. Death may occur rapidly if untreated.
• Affected Organisms: Humans and other mammals
• Biotransformation: Plasma and hepatic
• Absorption: Oral - poorly absorbed from the gastrointestinal tract.
• External Links: Wikipedia; Drugs.com