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Cyclobenzaprine Hydrochloride

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Identification
Molecular formula
C29H43Br2N2O3
CAS number
749-65-9
IUPAC name
(2-hydroxycyclohexyl)methyl-[2-[4-[4-[2-[(2-hydroxycyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium;dibromide
State
State

At room temperature, this compound is typically a solid.

Melting point (Celsius)
240.00
Melting point (Kelvin)
513.15
Boiling point (Celsius)
160.00
Boiling point (Kelvin)
433.15
General information
Molecular weight
576.38g/mol
Molar mass
576.3830g/mol
Density
1.3979g/cm3
Appearence

The compound typically appears as a white to off-white crystalline powder. It is odorless or has a faint odor characteristic of ionic bromide compounds. This compound is hygroscopic, meaning it can absorb moisture from the air, which may affect its appearance.

Comment on solubility

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

The solubility of the compound (2-hydroxycyclohexyl)methyl-[2-[4-[4-[2-[(2-hydroxycyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium;dibromide can be influenced by several factors due to its complex structure and the presence of multiple functional groups. Here are some key points to consider:

  • Nature of the Compound: This compound contains both hydrophobic sections from the cyclohexyl groups and hydrophilic sections due to the ammonium and hydroxy groups. This creates a balance that can variably affect solubility.
  • Solvent Choice: Its solubility may be significantly higher in polar solvents such as water and methanol compared to non-polar solvents because of the polar functionality present.
  • Ionic Interactions: The presence of dibromide (anionic) can enhance solubility in aqueous solutions due to the ionic nature, which generally promotes interaction with water molecules.
  • Temperature Influence: Increasing temperature often increases solubility for many compounds. Thus, this compound might exhibit greater solubility at elevated temperatures.
  • pH Sensitivity: Being a quaternary ammonium compound, changes in pH might affect the protonation state of the nitrogen, thereby influencing its solubility in different environments.

In summary, while the specific solubility value for this compound might not be widely documented, understanding its structural characteristics and environmental conditions can provide insights into its solubility behavior.

Interesting facts

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

The compound known as (2-hydroxycyclohexyl)methyl-[2-[4-[4-[2-[(2-hydroxycyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium;dibromide is a fascinating example of a complex molecular structure that incorporates several functional groups. Here are some intriguing aspects of this compound:

  • Multi-functional Role: This compound is characterized by its diverse functionalities, which enable it to interact with various biological systems, making it of significant interest in medicinal chemistry.
  • Ammonium Ion Incorporation: The presence of a dimethyl-ammonium group suggests potential cationic characteristics, which can facilitate interactions with negatively charged entities, including biological membranes.
  • Hydroxyl Groups: The inclusion of hydroxyl groups in the cyclohexyl moiety enhances its polarity and hydrophilicity, possibly influencing its solubility and reactivity.
  • Applications in Drug Design: Given its structural complexity, this compound might serve as a lead compound or a scaffold for the development of novel pharmaceuticals, particularly in the fields of cancer therapy or antimicrobial agents.
  • Complexity and Synthesis: The synthetic pathway to develop such a compound can involve intricate organic reactions, providing a rich field of study for organic chemists interested in asymmetric synthesis and advanced organic transformations.

In summary, the chemical structure of this compound showcases an impressive integration of multiple functional elements, presenting a variety of avenues for research and application in pharmaceutical chemistry. As highlighted by the famous chemist Linus Pauling, "The best way to have a good idea is to have a lot of ideas." In this context, the exploration of such complex molecules can lead to numerous innovative concepts and advancements in the field.

Synonyms
28979-97-7
Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis(((2-hydroxycyclohexyl)methyl)dimethyl-, dibromide
RefChem:318895
DTXSID30951591
2,2'-([1,1'-Biphenyl]-4,4'-diyl)bis{N-[(2-hydroxycyclohexyl)methyl]-N,N-dimethylethanamidium} dibromide