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Ergometrine

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Identification
Molecular formula
C19H23N3O2
CAS number
60-79-7
IUPAC name
(2S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadec-14-en-4-one
State
State

Ergometrine is typically found in a solid state at room temperature. It should be handled with care as it is sensitive to degradation caused by light and heat.

Melting point (Celsius)
169.00
Melting point (Kelvin)
442.15
Boiling point (Celsius)
295.00
Boiling point (Kelvin)
568.15
General information
Molecular weight
325.40g/mol
Molar mass
0.0000g/mol
Density
1.2307g/cm3
Appearence

Ergometrine is a white to off-white crystalline powder. It may appear as a solid that is susceptible to degradation under light or high temperatures, hence it is usually stored in dark, cool places to maintain stability.

Comment on solubility

Solubility of (2S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadec-14-en-4-one

The solubility of the compound (2S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadec-14-en-4-one is a multifaceted topic that involves various aspects of its chemical structure and potential behavior in different solvents.

Key Factors Influencing Solubility:

  • Molecular Structure: The presence of functional groups such as the methoxy (–OCH3) and oxazetidine ring may affect its polarity, thus influencing solubility.
  • Polarity: Polar compounds tend to dissolve well in polar solvents (e.g., water), whereas non-polar compounds are better solubilized in non-polar solvents (e.g., organic solvents).
  • Hydrogen Bonding: The ability of this compound to form hydrogen bonds can enhance its solubility in polar solvents.

While specific solubility data for this compound may be limited, it is essential to consider that solubility is influenced by temperature, with higher temperatures typically increasing solubility for many substances. Furthermore, predictions based on similar compounds can provide insights:

  1. If the compound exhibits significant polar characteristics, one might expect better solubility in methanol, ethanol, or dimethyl sulfoxide (DMSO).
  2. Conversely, if it exhibits more hydrophobic features, the likelihood of solubility in non-polar solvents like hexane would increase.

In summary, the solubility of (2S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadec-14-en-4-one is determined by its unique structural characteristics and interactions with solvents, making comprehensive experimental studies essential for precise solubility determination.

Interesting facts

Interesting Facts about (2S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadec-14-en-4-one

(2S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadec-14-en-4-one is a unique and fascinating compound that has drawn the attention of scientists due to its structural complexity and potential applications in various fields. Here are some intriguing insights into this compound:

  • Structural Diversity: The compound belongs to the class of spirocompounds, characterized by a complex fused ring system. Its tetracyclic structure contributes to its distinctive chemical properties and potential reactivity.
  • Biological Significance: Compounds with similar frameworks are often investigated for their biological activity. They could hold promise as potential pharmaceuticals, targeting various biological pathways.
  • Green Chemistry: The presence of a methoxy group enhances the molecule's polarity, which may influence its behavior in organic reactions, making it a candidate for exploring environmentally friendly synthetic pathways.
  • Stereochemistry: The stereochemistry of the compound is noteworthy; its specific chirality (2S,16R) suggests it could exhibit unique interactions in biological systems, affecting its pharmacokinetics and efficacy.

The exploration of (2S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadec-14-en-4-one is emblematic of the intricate relationships between structure and function in chemistry. As stated by a leading chemist, "Understanding these complex molecules can unlock doors to advances in drug discovery and materials science." With ongoing research, this compound may reveal even more secrets that could benefit technological and medicinal advancements in the future.