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Ketamine

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Identification
Molecular formula
C13H18Cl2FN2O
CAS number
1867-66-9
IUPAC name
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one;dihydrochloride
State
State

At room temperature, ketamine hydrochloride is commonly found in a solid state.

Melting point (Celsius)
92.00
Melting point (Kelvin)
365.15
Boiling point (Celsius)
204.00
Boiling point (Kelvin)
477.15
General information
Molecular weight
274.19g/mol
Molar mass
274.1930g/mol
Density
1.0000g/cm3
Appearence

Ketamine hydrochloride typically appears as a white crystalline powder. It is highly soluble in water, creating a clear solution.

Comment on solubility

Solubility Characteristics of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one; dihydrochloride

The solubility of a compound can significantly influence its behavior in various chemical environments and applications. For the complex structure of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one; dihydrochloride, understanding its solubility properties is imperative. Here are some key points about its solubility:

  • Solvent Compatibility: This dihydrochloride salt is likely to exhibit good solubility in polar solvents such as water due to the presence of hydrogen-bonding sites and ionic interactions.
  • pH Dependence: The solubility may vary with pH; typically, the solubility of salts increases in acidic conditions where they tend to dissociate more readily.
  • Crystalline Form: The solubility can also be a function of its crystalline form; amorphous forms generally dissolve better compared to their crystalline counterparts.
  • Temperature Effects: Increased temperature usually enhances solubility for many compounds, and this dihydrochloride may follow that trend as well.

In conclusion, while definitive solubility data for this specific compound may require further empirical research, it is important to remember that intricate structural features can greatly influence solubility behavior. As a rule of thumb, compounds incorporating functional groups capable of hydrogen bonding or ionic interactions tend to demonstrate enhanced solubility in polar environments.

Interesting facts

Interesting Facts About 4-(3,4,6,7,8,8a-Hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one; Dihydrochloride

This intriguing chemical compound belongs to a class of molecules known for their diverse biological activities and potential therapeutic applications. Here are some notable aspects:

  • Complex Structure: The compound features a multi-ring structure, which often indicates potential pharmacological properties. Its intricate design could reflect interactions with various biological targets.
  • Fluorophenyl Group: The presence of a 4-fluorophenyl group is noteworthy as fluorine substitution can enhance metabolic stability and bioactivity, making the compound potentially more effective in medicinal applications.
  • Pyrrolo[1,2-a]pyrazin Framework: This framework is frequently found in drugs due to its ability to mimic various biomolecules and interact with receptors, giving rise to therapeutic potential.
  • Dihydrochloride Salt: The salt form enhances the compound’s solubility, which is essential for its efficacy in biological environments. Salts are often formed to improve the pharmacokinetic profile of drug candidates.

The development and study of this compound might be guided by the principles of drug design, where the aim is to optimize efficacy while minimizing side effects. As a student in chemistry or a related field, one might appreciate the challenges and considerations that come with synthesizing and testing such compounds. These include:

  1. Understanding Synthetic Pathways: Knowledge of organic synthesis techniques is crucial in creating and modifying compounds like this one.
  2. Experimental Analysis: Evaluating the biological activity and mechanisms of action involves advanced techniques such as in vivo and in vitro testing.
  3. Computational Chemistry: Modern drug design often utilizes computational methods to predict the interactions of such complex molecules with biological systems.

In conclusion, 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one; dihydrochloride is a fascinating compound that combines intricate chemistry with promising potential in medicinal chemistry. It serves as an excellent example of how nuanced molecular designs can lead to significant advancements in therapeutic development.

Synonyms
Azabuperone hydrochloride
3162-75-2
UNII-7WH972M21R
7WH972M21R
1-Butanone, 1-(4-fluorophenyl)-4-(hexahydropyrrolo(1,2-a)pyrazin-2(1H)-yl)-, dihydrochloride
Butyrophenone, 4'-fluoro-4-(hexahydropyrrolo(1,2-a)pyrazin-2(1H)-yl)-, dihydrochloride
1-BUTANONE, 1-(4-FLUOROPHENYL)-4-(HEXAHYDROPYRROLO(1,2-A)PYRAZIN-2(1H)-YL)-, HYDROCHLORIDE (1:2)
Azabutyrone
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one;dihydrochloride
Cambridge id 5806264
DTXSID60953583
AKOS030506169
BIM-0034016.P001
Q27268954
1-(4-Fluorophenyl)-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)butan-1-one--hydrogen chloride (1/2)