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Neostigmine bromide

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Identification
Molecular formula
C21H32Br2N2O2
CAS number
114-80-7
IUPAC name
(2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-hydroxycyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium;dibromide
State
State

At room temperature, neostigmine bromide is a solid. It is usually available in powder form for pharmaceutical applications.

Melting point (Celsius)
234.00
Melting point (Kelvin)
507.15
Boiling point (Celsius)
372.00
Boiling point (Kelvin)
645.15
General information
Molecular weight
576.43g/mol
Molar mass
576.4340g/mol
Density
1.5300g/cm3
Appearence

Neostigmine bromide appears as a white to off-white crystalline powder. It is hygroscopic, meaning it can absorb moisture from the air.

Comment on solubility

Solubility of (2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-hydroxycyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium;dibromide

The solubility of this compound, which features a complex molecular structure, can be analyzed through several aspects:

  • Polarity: Due to its ionizable ammonium groups and various hydroxy groups, the compound is likely to exhibit a significant degree of polarity, enhancing its ability to dissolve in polar solvents such as water.
  • Hydrogen Bonding: The presence of hydroxyl groups allows for extensive hydrogen bonding, which can increase solubility in aqueous environments.
  • Salt Formation: Being a dibromide, it suggests that the compound could readily dissociate into its ionic forms in solution, potentially improving its solubility characteristics.
  • Solvent Compatibility: It may possess varying degrees of solubility in organic solvents, depending on the solvent polarity and the nature of its side chains.

In conclusion, while the specific solubility values remain to be experimentally determined, one can anticipate a favorable solubility profile in polar solvents, particularly due to the influence of ionic and hydrogen bonding interactions. Adapting this compound for use in various applications may thus require careful consideration of its solubility dynamics in differing environments.

Interesting facts

Interesting Facts about (2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-hydroxycyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium;dibromide

This compound is a fascinating example of a complex organic molecule that showcases the intricate interplay between structural design and biological activity. Commonly utilized in research for its potential pharmacological properties, the compound exhibits several noteworthy characteristics:

  • Dual Functional Groups: The presence of dimethyl-ammonium groups within the molecule provides distinct properties that enhance its solubility in polar solvents, which is critical in various biological applications.
  • Hydroxyl Groups: The 2-hydroxycyclohexyl moiety not only contributes to the compound's overall stability but may also play a significant role in its interaction with biological targets.
  • Potential Therapeutic Uses: Compounds with ambivalent functionalities like this one are often studied for their ability to act as drug candidates, particularly in fields such as cancer therapy or antimicrobial research.
  • Synthesis Complexity: The synthetic routes leading to such compounds often involve multi-step reactions, showcasing the advancements in organic synthesis techniques. This involves specific conditions and reagents to obtain the desired structure and purity.
  • Structure-Activity Relationship (SAR): Scientists frequently explore the relationship between the molecular structure of this compound and its biological activity, aiding in the design of more effective and selective drugs.

As highlighted by research in medicinal chemistry, “It’s not just about crafting a molecule; it’s about understanding how every atom influences its behavior in a biological context.” Exploring this compound opens up a world of possibilities, not just in academia, but also in practical applications that could revolutionize our approach to various diseases.

The study of this compound is a testament to the complex yet beautiful nature of chemistry, where even the largest and most intricate structures can lead to groundbreaking discoveries.

Synonyms
28043-32-5
(Terephthaloyldimethylene)bis(((2-hydroxycyclohexyl)methyl)dimethylammonium) dibromide
Ammonium, (terephthaloyldimethylene)bis(((2-hydroxycyclohexyl)methyl)dimethyl-, dibromide
RefChem:319125
DTXSID00950733
2,2'-(1,4-Phenylene)bis{N-[(2-hydroxycyclohexyl)methyl]-N,N-dimethyl-2-oxoethan-1-aminium} dibromide