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Ketorolac

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Identification
Molecular formula
C15H13ClNO3
CAS number
74103-06-3
IUPAC name
2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetic acid
State
State

Ketorolac is typically a solid at room temperature, available as a crystalline powder. It is commonly used in its tromethamine salt form in pharmaceuticals.

Melting point (Celsius)
160.00
Melting point (Kelvin)
433.15
Boiling point (Celsius)
323.30
Boiling point (Kelvin)
596.45
General information
Molecular weight
254.27g/mol
Molar mass
254.2730g/mol
Density
1.3650g/cm3
Appearence

Ketorolac appears as a white to off-white crystalline powder. It is slightly soluble in water and freely soluble in alcohol and organic solvents. The compound is generally provided in its tromethamine salt form for medical use.

Comment on solubility

Solubility of 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetic acid

The solubility of 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetic acid (C15H13ClNO3) can be influenced by several factors, including the presence of specific functional groups and the overall molecular structure. Understanding its solubility is crucial for various applications in pharmaceuticals and chemical synthesis.

Key Influencing Factors:

  • Functional Groups: The presence of acidic functional groups, such as the carboxylic acid (-COOH) in this compound, typically enhances solubility in polar solvents like water due to their ability to form hydrogen bonds.
  • Hydrophobic Regions: The 4-chlorobenzoyl segment contributes to hydrophobic interactions, potentially decreasing solubility in aqueous environments.
  • Temperature: Solubility often increases with rising temperature, which could be particularly relevant in dissolution behaviors during practical applications.

Moreover, based on the compound's structure, it is expected to show differing solubility in various solvents:

  • In polar solvents (e.g., water, methanol): Moderate solubility due to polar interactions, especially from the carboxylic acid group.
  • In non-polar solvents (e.g., hexane, benzene): Lower solubility owing to the hydrophobic characteristics of the aromatic ring and alkyl groups.

In summary, it can be said that while 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetic acid has the potential for some solubility in aqueous environments due to its functional groups, its overall solubility profile will largely depend on the solvent type and environmental conditions.

Interesting facts

Interesting Facts about 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetic acid

This intriguing compound is a part of the extensive family of pyrrole derivatives, known for their significant role in various biological activities. Here are some notable aspects that make this compound stand out:

  • Structurally Diverse: The compound features a unique combination of pyrrole and acetic acid moieties. Such structural diversity often leads to varied pharmacological properties, prompting ongoing research in medicinal chemistry.
  • Biological Relevance: Pyrrole-containing compounds are often explored for their potential therapeutic applications, including anti-inflammatory, antimicrobial, and anticancer properties. The presence of the 4-chlorobenzoyl group hints at enhanced biological activity due to halogen substitution.
  • Research Potential: The complex nature of this molecule encourages further studies. Researchers are particularly interested in how modifications to its structure can influence its biological activities, leading to the development of new drugs.
  • Analytical Interest: The compound's unique structure allows chemists to use a variety of analytical techniques for its identification and quantification, making it an interesting subject for laboratory studies.

As one investigates the potential of 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetic acid, it's essential to remember the words of the renowned chemist Linus Pauling: “The best way to have a good idea is to have a lot of ideas.” Exploring this compound could indeed lead to exciting discoveries!


Synonyms
zomepirac
33369-31-2
ZOMEPIRAC SODIUM
Zomepiracum [INN-Latin]
5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid
Zomepiracum
Zomepirac [INN:BAN]
Zomepiraco
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid
[5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid
EINECS 251-474-2
CHEBI:35859
ZOMEPIRAC [INN]
ZOMEPIRAC [MI]
822G987U9J
ZOMEPIRAC [WHO-DD]
CHEMBL19490
DTXSID9023754
1H-Pyrrole-2-aceticacid, 5-(4-chlorobenzoyl)-1,4-dimethyl-
Zomepiracum (INN-Latin)
1,4-Dimethyl-5-p-chlorobenzoylpyrrole-2-acetic acid
NCGC00094811-01
(5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl)acetic acid
SR-05000001739
{5-[(4-chlorophenyl)carbonyl]-1,4-dimethyl-1H-pyrrol-2-yl}acetic acid
UNII-822G987U9J
ZOM
Spectrum_000306
5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate dihydrate
Prestwick0_000779
Prestwick1_000779
Prestwick2_000779
Prestwick3_000779
Spectrum2_000955
Spectrum3_000589
Spectrum4_000383
Spectrum5_001427
SCHEMBL25735
BSPBio_000858
BSPBio_002038
KBioGR_000905
KBioSS_000786
DivK1c_000953
SPECTRUM1500615
SPBio_000950
SPBio_002797
BPBio1_000944
DTXCID803754
HMS502P15
KBio1_000953
KBio2_000786
KBio2_003354
KBio2_005922
KBio3_001538
M01AB04
Zomepirac; AIF; CE0; MS2Dec
NINDS_000953
HMS1921K11
HMS2092E04
Pharmakon1600-01500615
1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-
BDBM50027952
CCG-39056
NSC757379
DB04828
IDI1_000953
NCGC00094811-02
NCGC00094811-03
NCGC00094811-04
DA-06775
SBI-0051557.P002
NS00003889
AB00052126_03
Q4024685
SR-05000001739-1
BRD-K81326768-001-02-4
BRD-K81326768-001-04-0
BRD-K81326768-236-03-4
BRD-K81326768-236-11-7
BRD-K81326768-236-12-5
5-(p-chlorobenzoyl)-1,4-dimethyl-pyrrole-2-acetic acid
5-(p-chlorobenzoyl)-1,4-dimethylpyrrole-2-acetic acid
5-(rho-chlorobenzoyl)-1,4-dimethylpyrrole-2-acetic acid
251-474-2