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Benazepril

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Identification
Molecular formula
C24H28N2O5S
CAS number
86541-74-4
IUPAC name
2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid
State
State

At room temperature, Benazepril is typically present in a solid state as a crystalline powder.

Melting point (Celsius)
115.00
Melting point (Kelvin)
388.00
Boiling point (Celsius)
260.00
Boiling point (Kelvin)
533.00
General information
Molecular weight
424.56g/mol
Molar mass
424.5350g/mol
Density
1.3600g/cm3
Appearence

Benazepril typically appears as a white to off-white crystalline powder. It is slightly soluble in water, freely soluble in methanol, soluble in ethanol, and slightly soluble in isopropanol.

Comment on solubility

Solubility of 2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid

The solubility of 2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid with the molecular formula C24H28N2O5S can be characterized by various contributing factors. Understanding these factors is essential for its practical applications:

  • Polarity: The presence of acidic functional groups such as carboxylic acid and polar amine groups suggests it may have some degree of solubility in polar solvents, particularly water.
  • Saturated solution considerations: Being a complex structure, its solubility may vary significantly with temperature and pH, indicating that it could be better soluble at elevated temperatures.
  • Nonpolar interactions: The ethyl and phenyl groups present can contribute to hydrophobic interactions, potentially decreasing its solubility in aqueous environments.
  • Solvent variations: It is likely more soluble in organic solvents (e.g. ethanol, methanol, or dimethyl sulfoxide) due to its nonpolar characteristics.

In essence, when evaluating the solubility of 2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid, one should consider the balance between hydrophilic and hydrophobic regions within its molecular structure, as well as the influence of external conditions like temperature and solvent choice.

Interesting facts

Interesting Facts about 2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid

This compound represents a fascinating example of complex organic chemistry, due to its intricate structure and potential applications. Here are some noteworthy points of interest:

  • Structural Complexity: The presence of a thiazepan ring combined with thienyl and various functional groups makes this compound particularly noteworthy for studies in medicinal chemistry.
  • Potential Pharmacological Applications: Compounds with similar core structures have been extensively investigated for their pharmacological properties, including antiviral, anticancer, and antibacterial activities.
  • Functional Groups: The incorporation of various functional groups, such as the ethoxycarbonyl and phenyl moieties, allows for a range of chemical reactivity, opening doors to interesting synthetic pathways.
  • Enzyme Inhibition: Many thiazepan derivatives are known inhibitors of key enzymes, making this compound a candidate for further research in enzyme-related studies.

As a member of the thiazepan family, this compound showcases the versatility of cyclic amides in organic synthesis. Its unique properties may facilitate the development of new therapeutic agents. The exploration of such compounds is vital as it might lead to breakthroughs in combating various diseases.

In summary, 2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid highlights the dynamic nature of organic compounds in chemistry, sparking curiosity in both budding scientists and seasoned researchers alike. This complex structure invites exploration and poses intriguing questions about its potential applications in various fields.

Synonyms
Temocapil
{6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl}acetic acid
SCHEMBL10376961
DTXSID10861200
FIQOFIRCTOWDOW-UHFFFAOYSA-N
2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid;2-((2S,6R)-6-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)acetic acid
GEC84003
AKOS040759235
NCGC00389412-01
TS-09711
DB-041020
alpha-[6-(1-Ethoxycarbonyl-3-phenylpropylamino)-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepin-4-yl]acetic acid