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Simvastatin

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Identification
Molecular formula
C25H38O5
CAS number
79902-63-9
IUPAC name
2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-N-(9-oxo-1,8-diazatricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)pentanamide
State
State

Simvastatin is a solid at room temperature.

Melting point (Celsius)
138.00
Melting point (Kelvin)
411.20
Boiling point (Celsius)
636.90
Boiling point (Kelvin)
910.00
General information
Molecular weight
418.57g/mol
Molar mass
418.5690g/mol
Density
1.1840g/cm3
Appearence

Simvastatin appears as a white or off-white, crystalline powder. It is practically insoluble in water and freely soluble in chloroform, methanol, and ethanol.

Comment on solubility

Solubility of 2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-N-(9-oxo-1,8-diazatricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)pentanamide

The solubility of complex compounds like 2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-N-(9-oxo-1,8-diazatricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)pentanamide (C25H38O5) can be challenging to predict due to their intricate structures. However, a few general insights can be gathered about their solubility:

  • Polarity: The presence of functional groups such as hydroxyamino and keto moieties suggests that this compound may exhibit polar characteristics, which can enhance solubility in polar solvents like water.
  • Hydrophobic regions: The significant presence of hydrocarbon chains indicates hydrophobicity, which might limit its overall solubility in aqueous environments.
  • Solvent interactions: The solubility may improve in organic solvents such as ethanol or methanol due to favorable interactions with the hydrophobic parts of the molecule.
  • Temperature influence: As with many organic compounds, solubility can also be temperature-dependent; higher temperatures typically increase solubility in most solvents.

In conclusion, while the detailed solubility of this specific compound remains to be characterized, it's essential to consider both the polar and non-polar characteristics of its structure when predicting solubility trends in various solvents. Understanding these properties is crucial for applications in pharmaceuticals and materials science, where solubility plays a vital role in efficacy and utility.

Interesting facts

Interesting Facts about 2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-N-(9-oxo-1,8-diazatricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)pentanamide

This compound, with a complex structure and intriguing properties, is a fascinating subject for both researchers and students in the field of chemistry. Its unique arrangement allows for a variety of potential applications and offers insights into chemical interactions.

Key Characteristics

  • Hybrid Structure: The compound features a hybrid structure that includes both hydroxyamino and oxo functional groups, which contributes to its reactivity and biological activity.
  • Potential Biological Applications: Due to its complex molecular framework, this compound may have implications in drug development. Compounds similar to this have been studied for their potential role in therapeutic strategies against various diseases.
  • Diaza-Tricyclic Framework: The presence of a diaza-tricyclic system enhances its stability and opens avenues for examining its interaction with biological macromolecules.

Molecular Insights

The compound's diverse functional groups allow for numerous interactions in biochemical pathways. Researchers are particularly intrigued by how these interactions can influence:

  • *Enzyme inhibition*
  • *Cell signaling pathways*
  • *Biomolecular interactions*

Research Landscape

Studying such compounds is crucial for advancing our understanding of chemical biology. As noted by prominent scientists in the field, "Understanding complex molecules is similarly like unlocking the secrets of nature's toolbox." This statement underscores the importance of compounds like this in expanding our chemical knowledge.

Overall, the exploration of 2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-N-(9-oxo-1,8-diazatricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)pentanamide not only enhances our comprehension of molecular chemistry but also paves the way for innovative breakthroughs in pharmacology and materials science.

Synonyms
SCHEMBL23752325
PD036907