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Cefonicid

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Identification
Molecular formula
C18H18N6O8S3
CAS number
61270-58-4
IUPAC name
3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-phenyl-2-sulfo-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
State
State

At room temperature, Cefonicid is typically in a solid state, appearing as a crystalline powder. It is designed to be dissolved in a solvent for medical use, particularly for injection.

Melting point (Celsius)
250.00
Melting point (Kelvin)
523.15
Boiling point (Celsius)
263.00
Boiling point (Kelvin)
536.15
General information
Molecular weight
540.55g/mol
Molar mass
540.5490g/mol
Density
1.8000g/cm3
Appearence

Cefonicid is generally found as a white to off-white crystalline powder. It is not particularly hygroscopic and has a crystalline nature that is typical for many antibiotics in this class.

Comment on solubility

Solubility of 3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-phenyl-2-sulfo-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

The solubility of the compound C18H18N6O8S3 can be analyzed through several important factors:

  • Polarity: Due to the presence of numerous functional groups such as carboxylic acids and sulfonic acids, this compound is likely to be polar, affecting its interaction with solvents.
  • Hydrogen Bonding: The capability of forming hydrogen bonds due to the amide and sulfonate groups contributes positively to its solubility in polar solvents like water.
  • Thermodynamic Factors: The solubility can also be influenced by temperature, where an increase in temperature might enhance solubility for many ionic and polar compounds.
  • Solvent Choice: It may display greater solubility in solvents such as dimethyl sulfoxide (DMSO) or ethanol compared to non-polar solvents like hexane.

Additionally, while certain salts can considerably enhance the solubility of similar compounds, the interaction between this compound and specific salts could vary the solubility outcomes. Thus, laboratory investigations, including solubility testing under varied conditions, are essential to precisely determine how this compound behaves in different environments.

Interesting facts

Interesting Facts about 3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-phenyl-2-sulfo-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

This compound, with its complex structure, is a remarkable example of medicinal chemistry and illustrates the fascinating world of drug design. Here are some notable highlights:

  • Bioactivity Potential: The compound features multiple functional groups that may contribute to its biological activity, making it a candidate for pharmacological applications. The presence of the 8-oxo moiety suggests it may exhibit antioxidant and antimicrobial properties.
  • Structural Complexity: This molecule incorporates a bicyclic structure, which often plays a crucial role in determining the pharmacokinetics of drug candidates. The constrained geometry can lead to unique interactions with biological targets, enhancing efficacy.
  • pH-Dependent Solubility: The presence of both sulfonic and carboxylic acid functional groups indicates that the compound could exhibit distinct solubility behavior under varying pH conditions, which might affect its bioavailability in biological systems.
  • Potential Applications: Compounds of this nature may be investigated for their roles in treating infectious diseases or cancer due to their structural motifs that resemble existing therapeutic agents.
  • Hallmarks of Modern Drug Development: The incorporation of a pyridinium ring enhances the polar character of the molecule, which could be beneficial for transport across cellular membranes, a key consideration in drug formulation.

In conclusion, this compound stands out due to its intricate structure and the potential it holds for future medicinal applications. As research progresses, understanding its mechanisms of action and interaction with biological systems will be essential for its development in pharmacology.

Synonyms
Spectrum_001395
Spectrum2_001950
Spectrum3_001489
Spectrum4_000057
Spectrum5_001218
BSPBio_003077
KBioGR_000553
KBioSS_001875
DivK1c_000568
SPBio_002019
KBio1_000568
KBio2_001875
KBio2_004443
KBio2_007011
KBio3_002577
DTXSID00860641
NINDS_000568
IDI1_000568
BRD-A86462796-236-04-8
4-Carbamoyl-1-({2-carboxy-8-oxo-7-[2-phenyl(sulfo)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)pyridin-1-ium