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Cloxacillin

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Identification
Molecular formula
C19H17ClN3O5S
CAS number
61-72-3
IUPAC name
6-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
State
State
Cloxacillin is typically available as a solid when it is in its sodium salt form at room temperature.
Melting point (Celsius)
180.00
Melting point (Kelvin)
453.10
Boiling point (Celsius)
308.70
Boiling point (Kelvin)
581.90
General information
Molecular weight
435.87g/mol
Molar mass
435.8720g/mol
Density
1.3800g/cm3
Appearence

Cloxacillin sodium is a white to off-white, crystalline powder that is odorless.

Comment on solubility

Solubility of 6-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

The solubility of the compound C19H17ClN3O5S can be influenced by various factors, primarily its chemical structure and the presence of functional groups. This compound features several polar and non-polar regions, leading to complex solubility behavior. Here are some key points to consider:

  • Functional Groups: The presence of a carboxylic acid group indicates that the compound may exhibit enhanced solubility in polar solvents, such as water, particularly at higher pH levels where it can ionize.
  • Chlorine Atom: The 2-chlorophenyl moiety could impact its distribution in organic solvents, possibly enhancing solubility in non-polar organic solvents due to hydrophobic interactions.
  • Molecular Weight: With a relatively high molecular weight, the solubility may be reduced compared to smaller compounds, necessitating the exploration of various solvents to assess solubility effectively.
  • Solvent Environment: The compound's solubility will vary depending on the solvent system used, for instance, it may show better solubility in DMSO or methanol compared to hexane.

To summarize, the solubility of this compound in different solvents could be described as variable. Therefore, experimental determination is crucial to ascertain its practical solubility properties. As with many complex organic molecules, conducting solubility tests across a range of solvents can facilitate a comprehensive understanding of how it might behave in various applications.

Interesting facts

Interesting Facts about 6-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

This complex chemical compound is a fascinating example of synthetic organic chemistry and demonstrates the intricate ways in which scientists can manipulate molecular structures to create biologically active molecules.

Background and Applications

Here are some key points regarding this compound:

  • Structure and Composition: This compound features a unique bicyclic framework, containing both thia and azabicyclic structures, which contributes to its distinctive biological properties.
  • Functional Roles: The inclusion of an isoxazole ring showcases the strategic use of heterocycles in medicinal chemistry. Isoxazoles are known for their potential in developing pharmacological agents.
  • Biological Activity: Compounds like this one often show promise in fields such as antibiotic research or anti-inflammatory studies due to their ability to interact with biological systems in a targeted manner.

Research Insights

Several studies have explored the properties of similar compounds, unveiling:

  • Mechanistic Pathways: Understanding how such compounds interact at the molecular level can assist in drug design.
  • Toxicology Profiles: Investigating safety and efficacy is crucial before any therapeutic application.
  • Structure-Activity Relationships (SAR): Analyzing how structural variations impact activity can lead to optimized drug candidates.

This compound serves as a notable example of the intersection of chemistry and biology, offering insights into both the potential therapeutic uses of heterocyclic compounds and the challenges faced in drug development. Scientists use such compounds to push the boundaries of pharmacology, searching for innovative solutions to solve unmet medical needs.

Synonyms
Oprea1_495871
MLS006011803
CHEMBL1623166
SCHEMBL11404593
DTXSID90859049
SMR004703487
DB-053980
Cloxacillin, Antibiotic for Culture Media Use Only
6-{[3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid