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Ketorolac tromethamine

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Identification
Molecular formula
C15H13Cl2NO5
CAS number
74103-06-3
IUPAC name
4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoic acid
State
State
At room temperature, Ketorolac tromethamine is typically in a solid state. It is provided as a racemic mixture of two enantiomers, which is common in pharmaceuticals to optimize its biological effectiveness.
Melting point (Celsius)
164.00
Melting point (Kelvin)
437.15
Boiling point (Celsius)
775.00
Boiling point (Kelvin)
1 048.15
General information
Molecular weight
376.19g/mol
Molar mass
376.7900g/mol
Density
1.4268g/cm3
Appearence

Ketorolac tromethamine appears as a white to slightly yellow crystalline powder. It is slightly soluble in water, and its solutions have a characteristic bitter taste.

Comment on solubility

Solubility of 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoic acid

The solubility of the compound 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoic acid (C15H13Cl2NO5) can be quite complex due to its unique chemical structure. Here are some considerations regarding its solubility:

  • Polarity: The presence of functional groups such as the carboxylic acid and hydroxy groups contributes to the overall polarity of the molecule, potentially enhancing solubility in polar solvents, especially water.
  • Hydrogen Bonding: The ability of this compound to engage in hydrogen bonding due to its –OH and –COOH groups may lead to increased solubility in aqueous environments.
  • Chlorine Atoms: The inclusion of two chlorine atoms could affect solubility negatively, as halogens tend to impart hydrophobic characteristics, limiting solubility in non-polar solvents.
  • Solvent Dependency: It is likely that this compound would show varying degrees of solubility in different solvents, such as:
    • Highly soluble in polar solvents like water and ethanol.
    • Limited solubility in non-polar solvents like hexane or benzene.

In summary, while this compound exhibits characteristics that suggest good solubility in polar media, its solubility profile can be greatly influenced by the solvent used and the environmental conditions such as temperature. Understanding these factors is crucial when working with this specific compound.

Interesting facts

Interesting Facts about 4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoic acid

This compound, a derivative of amino acids and incorporating both chlorine and nitro groups, presents a fascinating study in structure and potential applications. Here are some key points to consider:

  • Multifunctionality: The design of this compound suggests potential activity in fields such as pharmacology, particularly in the development of new therapeutic agents.
  • Mechanism of Action: The presence of both an amino group and a hydroxyl group may allow this compound to participate in crucial biochemical reactions, including those involving metabolic pathways.
  • Chlorine's Role: The 2,2-dichloroacetyl moiety could enhance lipophilicity, which may improve membrane permeability and bioavailability of the compound in biological systems.
  • Application in Drug Design: Compounds with nitro functionalities are often screened for antimicrobial properties, making this compound a candidate for novel antibacterial research.
  • Structure-Activity Relationship (SAR): Chemists are interested in understanding how structural modifications, like those found in this compound, impact biological activity to optimize efficacy and safety in drug development.

In summary, 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoic acid highlights the intricate relationship between molecular structure and function. As we delve deeper into its properties and reactions, this compound may indeed pave the way for new therapeutic innovations.

Synonyms
4-[2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
13050-84-5
SCHEMBL16011474
DTXSID10859566
4-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
1-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] butanedioate