CAS 541-22-0 Decamethonium Bromide - Catalysts / Alfa Chemistry

Synonyms

C 10 (VAN); CAS-541-22-0; AKOS024386263; SR-01000003073-5; SCHEMBL487473; HMS2094A17; Decamethonii bromidum; DSSTox_CID_2886; 55C6RK944K; NCGC00261070-01;

IUPAC Name

trimethyl-[10-(trimethylazaniumyl)decyl]azanium;dibromide;

Molecular Weight

418.302g/mol

Molecular Formula

C16H38Br2N2;

Canonical SMILES

C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-];

InChI

InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2;

InChI Key

HLXQFVXURMXRPU-UHFFFAOYSA-L;

Melting Point

514 to 518 ° F (NTP, 1992);

Solubility

greater than or equal to 100 mg/mL at 66° F (NTP, 1992);

Complexity

164

Covalently-Bonded Unit Count

EC Number

208-772-2

Exact Mass

418.138g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

416.14g/mol

Rotatable Bond Count

Topological Polar Surface Area

0A^2

UNII

55C6RK944K

Application

Decamethonium Bromide serves as a depolarizing neuromuscular blocking agent primarily used to induce paralysis during anesthesia. As a partial agonist of muscle-type nicotinic acetylcholine receptors (nAChRs), it specifically activates α1β1-containing adult mouse muscle-type nAChRs with notable efficacy. Additionally, it acts as a nondepolarizing antagonist for neuronal-type nAChRs, effectively inhibiting several receptor subtypes, including mouse α7-, α3β2-, α3β4-, and α4β2-containing receptors. Its competitive antagonism is evident in its interaction with α4β2-containing nAChRs in human receptors. Besides affecting receptors, Decamethonium Bromide also inhibits acetylcholinesterase activity and is known to block muscle twitches, making it effective at inducing the desired muscular relaxation under anesthesia. This compound is characterized as a crystalline solid, derived from methanol and acetone, and is water soluble, contributing to its practical applications in clinical settings.

February 8, 2025

Highly Effective Neuromuscular Blocker for Research

Decamethonium Bromide significantly advanced our electrophysiology studies on nAChRs. Its consistent performance and solubility in water simplified preparation, allowing precise control over muscle responses in experimental settings.