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Ergometrine

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Identification
Molecular formula
C19H23N3O2
CAS number
60-79-7
IUPAC name
(9R,14R,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
State
State
At room temperature, ergometrine is typically in a solid state.
Melting point (Celsius)
142.00
Melting point (Kelvin)
415.00
Boiling point (Celsius)
410.00
Boiling point (Kelvin)
683.00
General information
Molecular weight
325.41g/mol
Molar mass
325.4050g/mol
Density
1.2200g/cm3
Appearence
Ergometrine, also known as ergonovine, is a white or slightly yellow hygroscopic crystalline powder. It can have a slight odor and is typically available in its maleate salt form for pharmaceutical use.
Comment on solubility

Solubility of (9R,14R,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

The solubility of the compound (9R,14R,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol can be influenced by various factors due to its complex structure. Here are some key points regarding its solubility:

  • Polarity: The presence of hydroxyl groups (-OH) typically increases the polarity of a molecule, enhancing its solubility in polar solvents such as water.
  • Hydrophobic Regions: Conversely, the intricate hydrocarbon backbone may introduce hydrophobic regions that could limit solubility in aqueous environments.
  • Solvent Choice: This compound may exhibit varying solubility levels in organic solvents due to the balance between hydrophilic and hydrophobic character.
  • Temperature Influence: Increased temperature often aids solubility; however, the specific solubility behavior would need to be experimentally determined.
  • Complex Interactions: The tendency to form intermolecular hydrogen bonds could affect solubility, showcasing the compound's unique solvation characteristics.

In summary, determining the solubility of this compound requires a nuanced understanding of its molecular structure and the chemical environment. As stated, “Solubility is a dance between structure and medium,” which is particularly fitting for complex molecules like this one.

Interesting facts

Interesting Facts about (9R,14R,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

This compound is a fascinating member of the chemical family known as diazahexacyclo compounds. Often characterized by their complex structure, diaza compounds incorporate multiple nitrogen atoms within a cyclic framework, leading to unique properties and reactivities. Here are some interesting points:

  • Structural Complexity: The extensive network of cycloalkane rings in its structure contributes to its intriguing stereochemistry and potential isomerism.

  • Biological Relevance: Compounds similar to this one have been studied for their biological activities, including their roles as potential pharmaceuticals and in drug discovery.

  • Applications in Material Science: Due to their unique structural characteristics, bicyclic and polycyclic compounds are often explored for their applications in materials science, including the development of specialized polymers.

  • Challenges in Synthesis: One of the major challenges in studying such compounds is the synthetic complexity; constructing the diaza framework often requires sophisticated techniques and methodologies.

  • Color Chemistry: Many cyclic compounds can exhibit color-changing properties when undergoing certain chemical reactions, making them of interest in the field of supramolecular chemistry.

In conclusion, while (9R,14R,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol presents challenges in its study due to its complex nature, it also holds the potential for significant contributions across various scientific fields. As always, the pursuit of understanding these compounds leads to advances in chemistry and materials science.