(2-{2,3-bis[2-(diethylamino)ethoxy]phenoxy}ethyl)diethylamine

• ChemBase编号: 366
• 分子式: C24H45N3O3
• 平均质量: 423.6324
• 单一同位素质量: 423.34609232
• SMILES: O(CCN(CC)CC)c1c(OCCN(CC)CC)cccc1OCCN(CC)CC
• Canonical SMILES: CCN(CCOc1c(OCCN(CC)CC)cccc1OCCN(CC)CC)CC
• InChI: InChI=1S/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3
• InChIKey: ICLWTJIMXVISSR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-{2,3-bis[2-(diethylamino)ethoxy]phenoxy}ethyl)diethylamine
• IUPAC传统名: gallamine triethiodide
• 商标名: Flacedil; Flaxedil; Fourneau 2559; Gallaflex; Miowas G; Parexyl; Pirolakson; Pyrolaxon; Relaxan; Remyolan; Retensin; Sincurarine; Syncurarine; Tricuran
• 别名: Gallamine; Gallamine Iodide; Gallamine Triethiiodide; Gallamine Triiodoethylate; Gallamone Triethiodide; Gallamin Triethiodide; Gallamin; Gallamonum; Benzcurine Iodide; Benzkurin; Triiodoethylate de Gallamine; Gallamine Triethiodide

登记号

• CAS号: 65-29-2
• PubChem SID: 160963829
• PubChem CID: 67425

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -6.1999636
• LogD (pH = 7.4): -1.7799768
• Log P: 3.6970134
• 摩尔折射率: 127.9965 cm^3
• 极化性: 50.102848 Å^3
• 极化表面积: 37.41 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 4.55
• LOG S: -3.5
• 溶解度: 1.34e-01 g/l

分子性质

理化性质

• 溶解度: Soluble
• 疏水性(logP): 3.5

详细说明

DrugBank - DB00483

• Drug Groups: approved
• Description: A synthetic nondepolarizing blocking drug. The actions of gallamine triethiodide are similar to those of tubocurarine, but this agent blocks the cardiac vagus and may cause sinus tachycardia and, occasionally, hypertension and increased cardiac output. It should be used cautiously in patients at risk from increased heart rate but may be preferred for patients with bradycardia. (From AMA Drug Evaluations Annual, 1992, p198)
• Indication: For use as adjuncts to anesthesia to induce skeletal muscle relaxation and to facilitate the management of patients undergoing mechanical ventilation
• Pharmacology: Gallamine Triethiodide is a nondepolarizing neuromuscular blocking drug (NDMRD) used as an adjunct to anesthesia to induce skeletal muscle relaxation. The actions of gallamine triethiodide are similar to those of tubocurarine, but this agent blocks the cardiac vagus and may cause sinus tachycardia and, occasionally, hypertension and increased cardiac output. Muscle groups differ in their sensitivity to these types of relaxants with ocular muscles (controlling eyelids) being most sensitive, followed by the muscles of the neck, jaw, limbs and then abdomen. The diaphragm is the least sensitive muscle to NDMRDs. Although the nondepolarizing neuromuscular blocking drugs do not have the same adverse effects as succinylcholine, their onset of action is slower. They also have a longer duration of action, making them more suitable for maintaining neuromuscular relaxation during major surgical procedures.
• Affected Organisms: Humans and other mammals
• External Links: Wikipedia