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Cetirizine dihydrochloride

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Identification
Molecular formula
C21H27Cl2N3O3
CAS number
83881-52-1
IUPAC name
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-[3,4,5-tris(hydroxymethyl)phenyl]ethanone;dihydrochloride
State
State

At room temperature, cetirizine dihydrochloride is typically in a solid state.

Melting point (Celsius)
232.00
Melting point (Kelvin)
505.00
Boiling point (Celsius)
600.00
Boiling point (Kelvin)
873.00
General information
Molecular weight
461.82g/mol
Molar mass
461.8200g/mol
Density
0.8705g/cm3
Appearence

Cetirizine dihydrochloride appears as a white to off-white, crystalline powder. It is odorless and has a slightly bitter taste.

Comment on solubility

Solubility of 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-[3,4,5-tris(hydroxymethyl)phenyl]ethanone; dihydrochloride

The solubility of the compound 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-[3,4,5-tris(hydroxymethyl)phenyl]ethanone; dihydrochloride can be influenced by several factors. This dihydrochloride form is known to exhibit:

  • High solubility in water: Due to the presence of multiple hydroxymethyl groups, which enhance its ability to interact with water molecules.
  • Amphiphilic properties: This compound may also show varying solubility in organic solvents depending on the pH and ionic strength of the solution.
  • Temperature dependence: Solubility can be affected by temperature, generally increasing with rising temperature.

Due to the presence of the dihydrochloride salt, it is often observed to be more soluble in aqueous solutions compared to its free base form. As a consequence, it is crucial for researchers and practitioners to consider solubility in the context of formulation and application. In cases where solubility is less than desired, modifications in formulation or pH adjustments can be potential solutions.

In summary, understanding the solubility behavior is essential for the effective use of this compound in various applications, particularly in pharmaceutical formulations where bioavailability may be a key concern.

Interesting facts

Interesting Facts about 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-[3,4,5-tris(hydroxymethyl)phenyl]ethanone;dihydrochloride

This compound is an innovative and complex chemical structure, showcasing the rich architecture of organic chemistry. It belongs to a class of molecules that exhibit significant biological activity and can pave the way for exciting research in medicinal chemistry.

Key Features:

  • Diverse Functional Groups: The presence of piperazine, hydroxymethyl, and ketone groups in its structure allows for versatile interactions within biological systems.
  • Potential Therapeutic Applications: Compounds with similar structures have been studied for their roles as medication candidates, particularly in the fields of neuropharmacology and oncology.
  • Synthetic Challenge: The synthesis of this compound can be quite intricate, often requiring multi-step procedures that highlight the creativity and skill involved in organic synthesis.

As researchers explore the interactions of this compound with biological targets, its unique characteristics may uncover new therapeutic pathways. The varied substituents offer opportunities for modification, which can lead to a wide range of derivatives with potentially enhanced properties.


To quote a well-known chemist: "The beauty of chemistry lies in the complexity of its compounds and the simplicity of the ideas we can derive from them." This sentiment perfectly encapsulates the significance of compounds like this one in expanding our understanding of medicinal chemistry and physiological interactions.

Synonyms
Acetophenone, 2-(4-(p-tert-butylbenzyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
16785-31-2
DTXSID60168413
1-(p-tert-Butylbenzyl)-4-(3,4,5-trimethoxybenzoylemethyl)piperazine dihydrochloride
2-(4-(p-tert-Butylbenzyl)piperazinyl)-3',4',5'-trimethoxyacetophenone dihydrochloride
Piperazine, 1-(p-tert-butylbenzyl)-4-(3,4,5-trimethoxybenzoylmethyl)-, dihydrochloride
DTXCID6090904