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

• ChemBase ID: 366
• Molecular Formular: C24H45N3O3
• Molecular Mass: 423.6324
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

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

Database IDs

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -6.1999636
• LogD (pH = 7.4): -1.7799768
• Log P: 3.6970134
• Molar Refractivity: 127.9965 cm^3
• Polarizability: 50.102848 Å^3
• Polar Surface Area: 37.41 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 4.55
• LOG S: -3.5
• Solubility (Water): 1.34e-01 g/l

PROPERTIES

Physical Property

• Solubility: Soluble
• Hydrophobicity(logP): 3.5

DETAILS

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