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Atorvastatin

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Identification
Molecular formula
C33H35FN2O5
CAS number
134523-00-5
IUPAC name
2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate;phenyl-[1-(2-piperidin-1-ium-1-ylpropyl)pyrrol-2-yl]methanone
State
State

At room temperature, atorvastatin is in a solid-state as it is a crystalline powder.

Melting point (Celsius)
159.00
Melting point (Kelvin)
432.15
Boiling point (Celsius)
229.64
Boiling point (Kelvin)
502.79
General information
Molecular weight
558.64g/mol
Molar mass
589.6620g/mol
Density
1.1000g/cm3
Appearence

Atorvastatin is typically a white or off-white crystalline powder. It is tasteless and odorless.

Comment on solubility

Solubility of 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate;phenyl-[1-(2-piperidin-1-ium-1-ylpropyl)pyrrol-2-yl]methanone

The compound 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate;phenyl-[1-(2-piperidin-1-ium-1-ylpropyl)pyrrol-2-yl]methanone presents a complex structure that influences its solubility behavior. Based on its functional groups, one can make several observations:

  • Carboxymethyl Group: The presence of the carboxymethyl group suggests potential for hydrogen bonding and ionic interactions, which typically enhance solubility in polar solvents, especially water.
  • Hydroxyl Groups: The two hydroxyl groups can also increase solubility due to their ability to engage in hydrogen bonding, lending to better interaction with aqueous environments.
  • Hydrophobic Phenyl Ring: Conversely, the phenyl moiety may contribute to hydrophobic characteristics, potentially counteracting the solubility imparted by the polar groups.
  • Piperidine and Pyrrole: The presence of nitrogen heterocycles may enhance solubility in organic solvents, particularly if protonation occurs, leading to improved solubility in non-polar to moderately polar systems.

In summary, the solubility of this compound is likely to be polar solvent dependent due to its combination of both hydrophilic and hydrophobic elements. The extent to which it dissolves in different solvents will rely on the balance of these interactions, potentially allowing it to dissolve adequately in both aqueous and certain organic solvents.

Understanding the solubility characteristics of this compound is crucial for applications that require precise formulation, as interactions can dramatically alter the efficacy in biological systems.

Interesting facts

Interesting Facts about 2-(Carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; phenyl-[1-(2-piperidin-1-ium-1-ylpropyl)pyrrol-2-yl]methanone

This compound, often referred to in the literature for its complex structure, boasts a unique blend of functional groups that contribute to its diverse chemical behavior and applications. Here are some intriguing aspects:

  • Pharmacological Potential: The presence of the piperidine ring in this compound suggests potential pharmacological properties. Compounds with piperidine are often explored for their activity as analgesics and antidepressants, making this compound a candidate for further biological research.
  • Diverse Applications: This compound can potentially be utilized in various fields such as medicinal chemistry, agrochemicals, and materials science. Its ability to act as a versatile building block can lead to innovative drug designs and functional materials.
  • Complex Synthesis: The synthesis of such compounds typically involves intricate multi-step chemical reactions. This allows chemists to explore various methodologies and reaction conditions, providing a rich ground for experimental chemistry and student engagement.
  • Structure-Activity Relationship (SAR): Understanding the structure-activity relationship is crucial for optimizing compounds like this. By modifying the substituents and functional groups, chemists can predict and enhance their biological activity.
  • Potential for Research: Given its structural complexity, this compound can serve as a fascinating subject for graduate and postgraduate research projects, allowing students to delve into synthetic methodology, characterization techniques, and biological assays.

In summary, the intriguing structural components of this compound not only make it significant from a chemical perspective but also open avenues for innovative applications and in-depth research opportunities in multiple fields. As stated by a noted chemist, "Innovation arises when we explore the uncharted territories of molecular structures."

Synonyms
1-(2-(2-Benzoyl-1-pyrrolidinyl)-1-methylethyl)piperidine citrate
KETONE, PHENYL 1-(2-PIPERIDINOPROPYL)PYRROL-2-YL, CITRATE
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