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Fluoxetine

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Identification
Molecular formula
C17H18FNO3
CAS number
54910-89-3
IUPAC name
N-cyclohexylsulfamate;1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one
State
State

At room temperature, Fluoxetine is found as a solid, typically white or off-white crystalline powder.

Melting point (Celsius)
179.00
Melting point (Kelvin)
452.15
Boiling point (Celsius)
418.23
Boiling point (Kelvin)
691.38
General information
Molecular weight
309.33g/mol
Molar mass
309.3330g/mol
Density
1.2900g/cm3
Appearence

Fluoxetine appears as a white to off-white crystalline solid. It is typically provided in the form of capsules or tablets when utilized in a pharmaceutical setting.

Comment on solubility

Solubility of N-cyclohexylsulfamate

The compound N-cyclohexylsulfamate, with its intricate structure, presents unique solubility properties. Understanding its solubility is crucial for applications in drug formulation and chemical synthesis. The solubility can be influenced by several factors. Here are some key aspects to consider:

  • Polarity: As a sulfamate, its polarity affects its solubility in water and organic solvents.
  • Hydrogen bonding: The presence of sulfonamide groups can facilitate hydrogen bonding with water molecules, potentially increasing solubility in polar solvents.
  • Temperature: Generally, solubility tends to increase with temperature, which can be a crucial factor in determining effective concentrations.
  • pH levels: Since sulfamates can behave as acidic compounds, their ionization and, consequently, their solubility may vary significantly in different pH environments.

It is important to note that specific solubility data for N-cyclohexylsulfamate may not be widely available. However, assessing its solubility involves a holistic examination of these factors. As is often said in the realm of chemistry, "the structure dictates the solubility." Therefore, for practical applications, experimental data under various conditions can lend more concrete insights into this compound's solubility behavior.


Complexity of Solubility

For highly complex molecules like 1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one, predicting solubility becomes even more challenging. This is due to additional factors such as:

  • Functional groups: The diverse array of functional groups can create multiple interactions with solvents.
  • Sterics: Bulky cyclohexyl and aromatic components can hinder solubility.
  • Solvent effects: The choice of solvent (polar vs. non-polar) can drastically alter the solubility of such a complex compound.

In conclusion, the solubility of N-cyclohexylsulfamate and its derivatives is a nuanced subject, necessitating careful investigation to determine its behavior in various conditions. Understanding these solubility properties is essential for optimizing its use in chemical applications.

Interesting facts

Interesting Facts about N-cyclohexylsulfamate; 1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one

This compound is a fascinating example of the diverse world of organic chemistry, showcasing the intricate relationship between structure and function. Composed of complex molecular frameworks, it offers numerous avenues for research and application.

Chemical Significance

Here are some notable aspects of this compound:

  • Bioactive Potential: Many compounds with similar structural features have been researched for pharmacological effects, making this compound an interesting candidate for bioactivity studies.
  • Structure-Activity Relationship: Its unique combination of functional groups—such as the sulfamate and indoline moieties—suggests substantial potential for exploring structure-activity relationships in medicinal chemistry.
  • Fluorine Incorporation: The inclusion of fluorine in the aromatic ring is noteworthy, as fluorinated compounds often exhibit improved metabolic stability and binding affinity, a crucial consideration in drug design.

Applications and Research Directions

The potential applications of this compound are varied:

  • Pharmaceutical Development: By acting on specific biological pathways, compounds like this one can lead to the synthesis of new therapeutic agents.
  • Agrochemical Research: The structural motifs may also find relevance in the development of agrochemicals, particularly as sustainable solutions for pest management.
  • Material Science: Due to its distinct structure, it could be explored for creating novel materials with unique properties.

Conclusion

In summary, N-cyclohexylsulfamate; 1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one represents a rich area for exploration in chemical sciences. Its intricate structure, potential bioactivity, and the synthesis of functional derivatives make it a subject of significant interest in both academic and industrial research.


Synonyms
23901-27-1
Butyrophenone, 4'-fluoro-4-(9-methoxy-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, cyclohexanesulfamate
DTXSID30178605
RefChem:331428
DTXCID50101096