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Mitragynine

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Identification
Molecular formula
C23H30N2O4
CAS number
4098-40-2
IUPAC name
(7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,8a,9,10,11,11a,12a,13-tetradecahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
State
State

At room temperature, Mitragynine is typically solid. It may be found in powder form when synthesized or extracted, and when completely pure, it has a crystalline appearance.

Melting point (Celsius)
102.00
Melting point (Kelvin)
375.15
Boiling point (Celsius)
285.00
Boiling point (Kelvin)
558.15
General information
Molecular weight
398.50g/mol
Molar mass
398.5030g/mol
Density
1.2300g/cm3
Appearence

Mitragynine typically appears as a white or slightly yellow crystalline powder. It may also appear as a solid with greenish tinges when extracted from natural sources. The compound is known for its glossy texture when in pure form.

Comment on solubility

Solubility Overview

The compound (7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,8a,9,10,11,11a,12a,13-tetradecahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one exhibits intriguing solubility characteristics that are influenced by its complex molecular structure. Understanding its solubility is essential for applications in pharmaceuticals, materials science, and chemical research.

Key Factors Influencing Solubility

  • Molecular Polarity: The presence of methoxy groups can increase polarity, leading to potential solubility in polar solvents.
  • Hydrogen Bonding: The structure's ability to form hydrogen bonds may enhance solubility in certain conditions.
  • Hydrophobic Regions: Large hydrophobic segments in the molecule may limit solubility in water but enhance compatibility with organic solvents.

It is often found that compounds with similar functionalities exhibit solubility patterns following the "like dissolves like" principle. Thus, it may be soluble in solvents like:

  • Dimethyl sulfoxide (DMSO)
  • Acetone
  • Ethanol

While the exact solubility data for this compound may require experimental determination, it is likely to be insoluble or poorly soluble in water due to its substantial hydrophobic characteristics. This tendency could limit its utility in aqueous environments but may enhance its behavior in organic systems.

Conclusion

In summary, the solubility of (7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,8a,9,10,11,11a,12a,13-tetradecahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one is a multifaceted aspect that warrants further investigation. Understanding its solubility can aid in predicting its behavior in various applications, making it a crucial area for exploration.

Interesting facts

Interesting Facts about (7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,8a,9,10,11,11a,12a,13-tetradecahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

This fascinating compound, characterized by its complex structure, belongs to a significant class of organic compounds known as isoquinolines. The molecular architecture of this compound enables numerous unique properties and potential applications:

  • Synthetic Versatility: The intricate stereochemistry, indicated by its notation (7aR,12bS), allows for the possibility of synthesizing various analogs that could exhibit different biological activities. Chemists are particularly interested in modifying this compound to explore its therapeutic potential.
  • Natural Origin: Compounds similar to this one are often found in natural products, such as those derived from plants, and might play critical roles in the plant's defense mechanisms or interactions with pollinators.
  • Biological Activities: Isoquinoline derivatives are well-documented for their diverse pharmacological properties, including anti-inflammatory, anti-cancer, and anti-microbial activities, making them essential subjects of study in medicinal chemistry.
  • Structural Complexity: The compound’s structure showcases a combination of fused rings and various functional groups, which can offer insights into the relationship between chemical structure and biological effect. This can be crucial in drug design and development.
  • Research Opportunities: As researchers seek to uncover the mechanisms of such complex molecules, this compound represents a rich substrate for studying the interactions within biological systems, paving the way for novel therapeutic interventions.

In summary, (7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,8a,9,10,11,11a,12a,13-tetradecahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one is not only a molecule of profound structural intricacy but also a gateway to understanding and harnessing the potential of isoquinoline derivatives in science and medicine. The phrase "Every structure tells a story" rings especially true in the case of such interesting compounds.