541-20-8

Basic information

• Product Name: PENTAMETHONIUM BROMIDE
• Synonyms: PENTAMETHONIUM BROMIDE;5-pentanediaminium,n,n,n,n’,n’,n’-hexamethyl-dibromide;lytensium;pentamethoniumdibromide;pentamethylenebis(trimethyl-ammoniudibromide;Pentamethoniulm;Penthonium;.alpha.,.Omega.-bis(trimethylammonium)pentane dibromide
• CAS NO: 541-20-8
• Molecular Formula: 2Br*C₁₁H₂₈N₂
• Molecular Weight: 348.16
• EINECS: 208-771-7
• Mol File: 541-20-8.mol
• Article Data: 4

Chemical Properties

• Melting Point: 301°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.3953 (rough estimate)
• Refractive Index: 1.6800 (estimate)
• CAS DataBase Reference: PENTAMETHONIUM BROMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: PENTAMETHONIUM BROMIDE(541-20-8)
• EPA Substance Registry System: PENTAMETHONIUM BROMIDE(541-20-8)

Safety Data

• Hazardous Substances Data: 541-20-8(Hazardous Substances Data)

Usage

General Description

Pentamethonium bromide is a synthetic quaternary ammonium compound that is used as a pharmaceutical agent in the treatment of hypertension, specifically in cases of hypertensive crisis or emergency situations. It works by blocking the effects of acetylcholine at nicotinic receptors, leading to smooth muscle relaxation and vasodilation, which helps to lower blood pressure. It is typically administered intravenously, and its effects are relatively short-acting. Although it has largely been replaced by newer and more effective medications for the treatment of hypertension, pentamethonium bromide still has some niche applications in certain clinical situations. Overall, it is considered a safe and well-tolerated drug when used appropriately.

InChI:InChI=1/C11H28N2.2BrH/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2

Upstream product

• 111-24-0 1,5-dibromo-pentane 
• 75-50-3 trimethylamine 
• 15008-33-0 (5-bromopentyl)trimethylammonium bromide 

Downstream Products

• 504-60-9 penta-1,3-diene 
• 1001-91-8 N,N-dimethylpent-4-enylamine 
• 75-50-3 trimethylamine 

Relevant articles and documents

Hydrogen bonding. Part 63. IR study of hydration of dimethonium and pentamethonium halides and NMR study of conformation of pentamethonium ion in solution

We have investigated hydrate formation by dimethonium and pentamethonium - (CH3)3N+-(CH2)n-+N(CH3)3 where n = 2 and 5 - bromide, chloride, and fluoride.Dimethonium bromide forms a dihydrate which contains a C2h(H2O*Br-)2 planar cluster.Dimethonium chloride forms a hypobarogenic dihydrate which is crystalline at reduced pressure but disproportionates to anhydrous material and liquid hexahydrate.Dimethonium fluoride forms three hydrates, a hexahydrate, tetrahydrate, and dihydrate.These hydrates, which represent fluoride ion trihydrate, dihydrate, and monohydrate respectively, have water-fluoride structures similar to those observed for a variety of other quaternary ammonium fluoride hydrates of corresponding stoichiometry; the dihydrate contains C2h(H2O*F-)2 clusters.Pentamethonium bromide and chloride form crystalline dihydrates (halide ion monohydrates) which do not contain planar (H2O*X-)2 clusters.Pentamethonium fluoride forms a trihydrate with unknown structure and, unlike other quaternary ammonium fluorides, does not form a fluoride ion monohydrate with (H2O*F-)2 clusters.The fact that the odd-numbered pentamethonium ion (C2v) fails to form halide dihydrates with planar (H2O*X-)2 clusters while the even-numbered dimethonium, hexamethonium, and decamethonium ions (C2h) all do may be a function of ion symmetry; however, further studies are required to clarify this point.FT-NMR study of the pentamethonium ion in aqueous solution and molecular modeling shows that rotation about the C1-C2 and C4-C5 ?-bonds is not possible, while rotation about the C2-C3 or C3-C4 bonds does take place.

Imine macrocycle with a deep cavity: Guest-selected formation of syn/anti configuration and guest-controlled reconfiguration

A dynamic covalent bond is one of the ideal linkages for the construction of large and robust organic architectures. In the present article, we show how organic templates can efficiently transform a complex dynamic imine library into a dynamic imine macrocycle. Not only is the constitution well controlled, but also the syn/anti host configuration is efficiently selected and even the orientation of the guest in the asymmetric cavity of the host can be well aligned. This is attributed to the delicate balance and the cooperation of multiple noncovalent interactions between the hosts and the guests. Through sequential additions of three guests in appropriate amounts, controlled structural reconfiguration of dynamic covalent architectures has been achieved for the first time.