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Cefotaxime

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Identification
Molecular formula
C16H17N5O7S
CAS number
63527-52-6
IUPAC name
7-[(2-formyloxy-2-phenyl-acetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
State
State
At room temperature, cefotaxime is typically supplied as a solid in the form of a crystalline powder. It is stable and is used for the preparation of injectable solutions.
Melting point (Celsius)
159.00
Melting point (Kelvin)
432.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
455.45g/mol
Molar mass
455.4500g/mol
Density
1.5000g/cm3
Appearence
Cefotaxime appears as a white to light yellow crystalline powder. It is typically used in its sodium salt form, which is sterile and suitable for injection after reconstitution with appropriate solvents.
Comment on solubility

Solubility of 7-[(2-formyloxy-2-phenyl-acetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (C16H17N5O7S)

The solubility of a compound such as this one can be quite complex due to its intricate structure and various functional groups. Here are some key points to consider:

  • Polarity: The presence of multiple functional groups, including amines and carboxylic acids, may contribute to the compound's polarity, which can enhance its solubility in polar solvents like water.
  • Hydrogen Bonding: The ability of the compound to engage in hydrogen bonding due to hydroxyl and amine functionalities may further increase its solubility in aqueous environments.
  • Solvent Compatibility: While it may be soluble in water, it could also show varying degrees of solubility in organic solvents, making it important to test it in different solvent systems.
  • pH Dependencies: Solubility can be pH-dependent, especially for compounds with acidic or basic groups; this factor should be examined in detail.

In conclusions, the solubility of this intricate compound is likely influenced by a combination of its polar characteristics, functional groups, and the surrounding conditions. As such, experimental determination in various solvents would provide a clearer understanding of its solubility profile.

Interesting facts

Interesting Facts about 7-[(2-formyloxy-2-phenyl-acetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

This compound is a member of an intriguing class of chemical compounds utilized in various fields, especially in medicinal chemistry. Here are some noteworthy details about its structure and potential applications:

  • Structural Complexity: The compound's name suggests a fairly complex structure, characterized by the presence of a bicyclic core along with functional groups such as a formyloxy group, a phenylacetyl moiety, and a unique thia-aza bicyclic framework. Its intricate design makes it a subject of interest in structure-activity relationship (SAR) studies.
  • Pharmacological Potential: The presence of the tetrazol ring and the sulfur atom hints at potentially significant pharmacological properties. Many pharmaceuticals contain these groups due to their ability to enhance bioactivity, making study of this compound relevant for drug discovery.
  • Targeted Therapeutics: This compound can be an important template for creating targeted therapies, particularly in cancer treatment or antibiotic development, as the presence of multiple functional groups can lead to increased specificity towards biological targets.
  • Reactivity and Synthesis: The various functional groups within the compound can engage in diverse chemical reactions, offering numerous synthetic pathways that can be explored for compound diversification. This versatility is crucial in synthesizing new derivatives that may possess enhanced efficacy or reduced side effects.

In conclusion, 7-[(2-formyloxy-2-phenyl-acetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid exemplifies the rich world of organic and medicinal chemistry. As researchers continue to investigate similar compounds, they hope to unlock new therapeutic avenues that may one day lead to groundbreaking treatments.

Synonyms
Mandol
CHEMBL270497
Cemandil
NSC299588
NSC-299588
Spectrum_001437
Spectrum2_001463
Spectrum3_000737
Spectrum4_000796
Spectrum5_001105
BSPBio_002294
KBioGR_001272
KBioSS_001917
DivK1c_000396
SPBio_001385
KBio1_000396
KBio2_001917
KBio2_004485
KBio2_007053
KBio3_001514
DTXSID30860593
NINDS_000396
BDBM50371268
IDI1_000396
7-[(2-formyloxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
BRD-A02439449-236-04-8
(6R,7R)-7-(R)-Mandelamido-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate formate ester
7-[(2-formyloxy-2-phenyl-acetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-[2-(Formyloxy)(phenyl)acetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid