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Etomidate

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Identification
Molecular formula
C14H16N5O3Cl
CAS number
XXX-XX-X
IUPAC name
2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-diethyl-ammonium;chloride
State
State

Etomidate is typically found as a solid at room temperature. It is used in intravascular preparations where it is dissolved for administration.

Melting point (Celsius)
159.00
Melting point (Kelvin)
432.15
Boiling point (Celsius)
274.80
Boiling point (Kelvin)
548.00
General information
Molecular weight
344.84g/mol
Molar mass
344.8430g/mol
Density
1.1800g/cm3
Appearence

Etomidate is a white crystalline solid. It is often seen as a colorless microcrystalline powder or crystals. It is used as an anesthetic agent and known for its appearance reflecting high purity.

Comment on solubility

Solubility of 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-diethyl-ammonium;chloride

The solubility of the compound 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-diethyl-ammonium;chloride can be influenced by various factors, particularly its ionic nature due to the presence of the chloride ion. Generally, compounds like this one tend to exhibit the following solubility characteristics:

  • Ionic solubility: Being a quaternary ammonium compound, it is expected to be soluble in polar solvents such as water due to the charge on the amine nitrogen, which allows for favorable interactions with solvent molecules.
  • Organic solvent compatibility: The presence of an ethoxyphenyl group may enhance solubility in organic solvents, making it potentially soluble in ethanol or methanol, depending on the chain length and branching.
  • Temperature dependence: As with many compounds, increased temperature may lead to greater solubility, particularly in aqueous solutions.
  • pH interaction: The solubility might also be influenced by the pH of the solution, where acidic or basic conditions could potentially alter the ionic state of the compound.

In summary, while this compound is likely to exhibit good solubility in both polar and some non-polar solvents, the exact solubility profile must be determined experimentally. It is essential to keep in mind that the presence of different functional groups can lead to a wide variation in solubility behavior, emphasizing the importance of understanding the interactions between the compound and the solvent system.

Interesting facts

Interesting Facts about 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-diethyl-ammonium; chloride

This intriguing compound, primarily recognized for its biological activity, possesses a unique structure that has garnered attention in the fields of medicinal chemistry and pharmacology. Here are some compelling insights into this compound:

  • Biological Significance: Compounds containing benzimidazole moieties are often explored for their potential therapeutic applications. They demonstrate notable activities against various pathogens, making them candidates for antibiotic and antifungal drug development.
  • Mechanism of Action: The nitro group present in this compound is crucial for its biological efficacy. It can undergo reduction in bacterial cells, leading to the formation of reactive intermediates that interfere with cellular processes.
  • Ammonium Ion Influence: The diethylammonium component enhances the solubility and bioavailability of the compound, vital traits for developing effective pharmaceuticals.
  • Structure Activity Relationship: Understanding how each substituent affects the overall biological activity is fundamental. The ethoxyphenyl group, for instance, may influence lipophilicity, impacting membrane permeability and interaction with target proteins.
  • Environmental Implications: The persistence of such compounds in the environment can raise concerns. Evaluating their degradation pathways and potential ecological impacts is critical for ensuring safety in their applications.

In summary, 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-diethyl-ammonium; chloride not only showcases fascinating structural features but also holds promise in the quest for new therapeutic agents. Its varied applications and implications make it a significant subject of research in the chemical sciences.

Synonyms
Etonitazene hydrochloride
C 20684
LD057W8P8B
2053-25-0
DTXSID50174523
1-(2-Diethylaminoethyl)-2-(p-ethoxybenzyl)-5-nitrobenzimidazole hydrochloride
Benzimidazole, 1-(2-diethylaminoethyl)-2-(p-ethoxybenzyl)-5-nitro-, hydrochloride
ETONITAZENE HYDROCHLORIDE [MI]
C-20684
BENZIMIDAZOLE, 1-(2-(DIETHYLAMINO)ETHYL)-2-(P-ETHOXYBENZYL)-5-NITRO-, HYDROCHLORIDE
1H-BENZIMIDAZOLE-1-ETHANAMINE, 2-((4-ETHOXYPHENYL)METHYL)-N,N-DIETHYL-5-NITRO-, MONOHYDROCHLORIDE
2-((4-ETHOXYPHENYL)METHYL)-N,N-DIETHYL-5-NITRO-1H-BENZIMIDAZOLE-1-ETHANAMINE HYDROCHLORIDE
DTXCID7097014
UNII-LD057W8P8B