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Chlorhexidine gluconate

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Identification
Molecular formula
C34H54Cl2N10O14
CAS number
18472-51-0
IUPAC name
2-[6-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
State
State

Chlorhexidine gluconate is typically a solid in its pure form but is commonly found in aqueous solutions as a liquid at room temperature. The solutions are clear and either colorless or possess a slight yellow tinge.

Melting point (Celsius)
114.00
Melting point (Kelvin)
387.00
Boiling point (Celsius)
100.00
Boiling point (Kelvin)
373.15
General information
Molecular weight
895.76g/mol
Molar mass
895.7610g/mol
Density
1.0600g/cm3
Appearence

Chlorhexidine gluconate typically appears as a clear, colorless to pale yellow liquid when formulated as a solution. The solid form appears as a fine, white crystalline powder, and it is often used in various concentrations in medical and antiseptic applications.

Comment on solubility

Solubility of 2-[6-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

The solubility of this compound can be influenced by several factors based on its complex structure. Given its numerous functional groups, including multiple amino groups and hydroxyl groups, the solubility characteristics may vary significantly between polar and non-polar solvents.

Factors Influencing Solubility:

  • Polarity: The presence of hydroxyl and amino groups generally enhances solubility in polar solvents like water, due to their ability to form hydrogen bonds.
  • Hydrophobic Regions: The presence of phenyl rings (from the 4-chloroaniline part) could introduce hydrophobic characteristics, which may impede solubility in polar environments.
  • pH Dependence: The degree of protonation of the amino groups at different pH levels may further affect solubility, as protonation can enhance solubility in acidic solutions.

As a general observation, **compounds with multiple hydrogen-bonding sites** tend to exhibit better solubility in water, while those with significant non-polar components may prefer organic solvents. For this compound, it’s important to take a closer look at experimental solubility data to understand its behavior fully in various solvent systems.

Interesting facts

Interesting Facts about 2-[6-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

This compound is a fascinating example of the interplay between biological activity and synthetic chemistry. As a hybrid compound, it features multiple functional groups that contribute to its potential applications in medicinal chemistry and biochemistry. Here are some engaging insights:

  • Biological Relevance: The presence of amino and guanidine groups suggests potential interactions with biological molecules, making it an interesting candidate for drug development, especially in targeting specific receptors or enzymes.
  • Structural Complexity: The intricate structure of this compound, featuring a long carbon chain with various amino substitutions, can lead to diverse conformations. This allows for unique chemical reactivity and interactions with other compounds.
  • Potential Applications: Given its structure, it may play a role in pharmaceuticals, particularly in creating compounds that can modulate biological pathways or as carriers for drug delivery.
  • Natural Analog: The interaction of the pentahydroxyhexanoic acid portion with physiological systems might mimic certain naturally occurring sugars or amino acids, opening paths for metabolic studies or therapeutic uses.

Scientists often state, "The magic of chemistry lies in the complexity of its structures and the simplicity of its interactions." This compound embodies that essence, bridging complex molecular architecture with functional potential.

In summary, 2-[6-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid challenges chemists to explore its multifaceted properties, paving the way for possible innovations in science and medicine.

Synonyms
C34H54Cl2N10O14
Chlorhexidine Di Gluconate
Chlorhexidine Digluconate (20% in Water)
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
SCHEMBL34468
SCHEMBL827638
orb1909434
DTXSID5034519
SCHEMBL29413787
GLXC-10523
FC01504
NS00075801
D89542
Chlorhexidine digluconate - 20% aqueous solution
Q15709152
1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane;1,1?-Hexamethylenebis(5-[p-chlorophenyl]biguanide)
2-[6-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
D-Gluconic acid, compd with N,N''-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide (2:1)