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(-)-Tetrabenazine

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Identification
Molecular formula
C19H25NO3
CAS number
102601-50-1
IUPAC name
(4S,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
State
State

At room temperature, (-)-Tetrabenazine is typically in a solid state as a crystalline powder.

Melting point (Celsius)
145.00
Melting point (Kelvin)
418.15
Boiling point (Celsius)
290.00
Boiling point (Kelvin)
563.15
General information
Molecular weight
317.39g/mol
Molar mass
317.3880g/mol
Density
1.2900g/cm3
Appearence

Appearance: White to slightly yellow crystalline powder. It is often used in its salt form as a more stable compound.

Comment on solubility

Solubility of (4S,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

The solubility of complex organic compounds like (4S,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one can be quite intricate due to various factors influencing its interaction with solvents. Generally, the solubility can be assessed by considering the following:

  • Molecular Structure: The bulky structure of this compound may lead to lower solubility in polar solvents. However, functional groups like the -OH (hydroxyl) can enhance hydrogen bonding, potentially increasing solubility in aqueous solutions.
  • Polarity: Compounds with significant hydrophobic regions tend to exhibit lower solubility in water, while polar or charged regions can facilitate solubility in polar solvents.
  • Temperature: Increased temperature typically enhances the solubility of solid compounds by providing more energy to overcome solvation barriers.
  • pH levels: If the compound can protonate or deprotonate, changing the pH may also affect solubility, particularly in aqueous environments.

As a result, while it may be challenging to categorize the solubility of this intricately structured compound without specific experimental data, it is often recommended to conduct solubility tests in various solvents (both polar and nonpolar) to accurately determine its solubility profile. Understanding this profile is crucial as it impacts further applications and formulations.

Interesting facts

Interesting Facts about (4S,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

This complex compound, commonly known for its unique structure within the class of isoquinoline derivatives, showcases a rich tapestry of chemical characteristics that attract the attention of chemists and pharmacologists alike. Its detailed stereochemistry lends to fascinating properties and potential applications.

Key Characteristics:

  • Natural Product Inspiration: Many compounds within this class are derived from natural sources or mimic natural products, often exhibiting biological activity that can be exploited in medicinal chemistry.
  • Potential Therapeutic Applications: Compounds with a similar framework are being researched for anti-cancer and anti-inflammatory properties, highlighting their relevance in drug discovery.
  • Challenging Synthesis: The intricate structure of this molecule presents synthetic chemists with unique challenges, often requiring multiple steps and innovative techniques for its creation.
  • Unique Ring Systems: The presence of multiple fused ring systems can lead to unique electronic properties that might influence reactivity and stability.

As with many complex organic molecules, the exploration of this compound can be both challenging and rewarding. Its presence in research is not merely academic; it opens doors to understanding structure-activity relationships and encourages the search for new synthetic methodologies. The future of such compounds may reside in their potential advancements in pharmaceutical applications, making this a subject of continual research and interest.

Overall, as chemists explore the depths of complex structures like this one, they often quote, "The more you learn, the more you realize how much there is to discover," capturing the essence of scientific inquiry that fuels the search for new knowledge.