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Ertapenem

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Identification
Molecular formula
C22H25ClN3O7
CAS number
153832-46-3
IUPAC name
[(7R,8S)-11-amino-5-(4-chlorobenzoyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
State
State

At room temperature, it is usually found as a crystalline solid.

Melting point (Celsius)
170.00
Melting point (Kelvin)
443.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
497.50g/mol
Molar mass
497.5040g/mol
Density
1.4400g/cm3
Appearence

It is typically a white to off-white powder.

Comment on solubility

Solubility of [(7R,8S)-11-amino-5-(4-chlorobenzoyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

The solubility of the compound [(7R,8S)-11-amino-5-(4-chlorobenzoyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate is influenced by several key factors:

  • Polarity: The presence of functional groups, such as amine and carbamate moieties, may enhance the compound's ability to interact with polar solvents, leading to increased solubility in polar environments.
  • Structure: The intricate tetracyclic structure, supplemented with chlorobenzoyl and methoxy substitutions, might contribute to steric hindrance, affecting solubility prospects in various solvents.
  • Hydrogen Bonding: The ammonium group could potentially allow the compound to form hydrogen bonds, particularly with protic solvents, thereby enhancing solubility in said media.
  • Solvent Compatibility: This compound may exhibit variable solubility in different solvents; for example, it could be more soluble in organic solvents due to its complex structure compared to aqueous solutions.

In summary, while there is potential for satisfactory solubility in some environments, the exact solubility characteristics must be empirically determined. As with many chemical compounds, the phrase "It depends!" serves as a reminder that comprehensive testing in various solvents is critical for accurate solubility assessments.

Interesting facts

Interesting Facts about [(7R,8S)-11-amino-5-(4-chlorobenzoyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

This compound represents a fascinating class of molecules known as carbamates, which are widely studied in the field of medicinal chemistry. Below are some remarkable features that highlight its importance and potential applications:

  • Biological Activity: Many carbamates are known for their biological activity, displaying properties such as anti-inflammatory and antitumor effects. This particular compound's structure suggests it may interact with various biological targets, warranting further investigation.
  • Synthetic Versatility: The presence of multiple functional groups allows for diverse synthetic pathways. This adaptability can facilitate modifications that enhance its therapeutic efficacy or adjust its pharmacokinetic properties.
  • Structural Complexity: The tetracyclic structure provides the compound with a robust framework. Such complexity not only contributes to its stability but also potentially leads to unique interactions in biological systems.
  • Chirality: With specific stereochemical configurations (7R, 8S), chirality plays a pivotal role in dictating the compound’s biological interactions. Even minor changes in stereochemistry can lead to significant differences in activity.
  • Research Potential: As scientists continue to explore its properties, compounds of this nature might pave the way for the development of novel pharmaceuticals targeting various diseases. Their unique frameworks may provide insights into new therapeutic mechanisms.

In summary, [(7R,8S)-11-amino-5-(4-chlorobenzoyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate is not just a complex chemical structure; it’s a promising lead for future research and development in medicinal chemistry. As one scientist aptly put it, "The beauty of chemistry lies in its complexity and the potential it holds for addressing real-world challenges."

Synonyms
DTXSID30933054
[6-Amino-1-(4-chlorobenzoyl)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate