trimethyl[10-(trimethylazaniumyl)decyl]azanium

• ChemBase编号: 1114
• 分子式: C16H38N2++
• 平均质量: 258.48632
• 单一同位素质量: 258.30349923
• SMILES: [N+](CCCCCCCCCC[N+](C)(C)C)(C)(C)C
• Canonical SMILES: C[N+](CCCCCCCCCC[N+](C)(C)C)(C)C
• InChI: InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
• InChIKey: MTCUAOILFDZKCO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: trimethyl[10-(trimethylazaniumyl)decyl]azanium
• IUPAC传统名: decamethonium
• 商标名: Syncurine; Lopac-D-1260
• 别名: Decamethonum; Decamethonium

登记号

• CAS号: 156-74-1
• PubChem SID: 46507737; 160964577
• PubChem CID: 2968

理论计算性质

JChem

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -4.8711247
• LogD (pH = 7.4): -4.8711247
• Log P: -4.8711247
• 摩尔折射率: 106.9504 cm^3
• 极化性: 33.17625 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -2.79
• LOG S: -7.67
• 溶解度: 7.04e-06 g/l

分子性质

理化性质

• 溶解度: Substantial

详细说明

DrugBank - DB01245

• Drug Groups: approved
• Description: Decamethonium is a short acting depolarizing muscle relaxant or neuromuscular blocking agent, and is used in anesthesia to induce paralysis. It is similar to acetylcholine and acts as a partial agonist of the nicotinic acetylcholine receptor.
• Indication: For use as a skeletal muscle relaxant
• Pharmacology: Decamethonium acts as a depolarizing muscle relaxant or neuromuscular blocking agent. It acts as an agonist of nicotinic acetycholine receptors in the motor endplate and causes depolarization. This class of drugs has its effect at the neuromuscular junction by preventing the effects of acetylcholine. Normally, when a nerve stimulus acts to contract a muscle, it releases acetylcholine. The binding of this acetylcholine to receptors causes the muscle to contract. Muscle relaxants play an important role in anesthesia even though they don't provide any pain relief or produce unconsciousness.
• Toxicity: LD₅₀=190 mg/kg (orally in mice). Prolonged apnoea, neuromuscular paralysis and cardiac arrest may occur.
• Affected Organisms: Humans and other mammals
• Absorption: Rapidly absorbed.
• External Links: Wikipedia