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Sofosbuvir

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Identification
Molecular formula
C22H29N3O9P
CAS number
1190307-88-0
IUPAC name
(1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonyl-amino]hexyl]carbamate
State
State

The compound is a solid at room temperature, typically distributed as a powder form for pharmaceutical use.

Melting point (Celsius)
284.00
Melting point (Kelvin)
557.15
Boiling point (Celsius)
500.00
Boiling point (Kelvin)
773.15
General information
Molecular weight
529.45g/mol
Molar mass
529.4540g/mol
Density
1.4862g/cm3
Appearence

Sofosbuvir is a white to off-white crystalline solid, commonly encountered as a powder.

Comment on solubility

Solubility of (1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonyl-amino]hexyl]carbamate

The solubility of the compound (1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonyl-amino]hexyl]carbamate, with the chemical formula C22H29N3O9P, can be influenced by several factors, primarily due to its complex structure and the presence of various functional groups.

Factors Affecting Solubility

  • Polarity: The compound possesses both polar and non-polar characteristics, which can help solubility in a range of solvents. Polar solvents such as water may dissolve this compound more readily due to hydrogen bonding and dipole interactions.
  • Functional Groups: The presence of multiple functional groups, including carbamate and pyridinium structures, could enhance the compound's compatibility with polar solvents.
  • Chain Length: The hexyl chain may add hydrophobic character, impacting solubility in organic solvents. The balance between hydrophobic and hydrophilic sections plays a crucial role in solubility behavior.

Considering these factors, it is reasonable to anticipate that the compound will exhibit moderate solubility in water and potentially better solubility in organic solvents. The uniquely structured components of the molecule create a need for meticulous consideration regarding their interactions with different solvents.

Overall, understanding the solubility of this compound is pivotal for its applications, particularly in the fields of biochemistry and materials science, where solvent interactions can greatly affect performance and stability.

Interesting facts

Interesting Facts about (1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonyl-amino]hexyl]carbamate

This compound, while complex in its structure, offers a fascinating glimpse into the world of organophosphorus chemistry. Here are some compelling insights about this chemical:

  • Unique Structure: The presence of the 1-methylpyridin-1-ium moiety suggests that this compound may exhibit interesting electrochemical properties, making it a subject of interest in materials science.
  • Applications: Due to its structural components, this compound could potentially be utilized in fields such as drug design, where the targeting of specific biological pathways is crucial. Its intricate design is indicative of a multifunctional compound that could lead to multiple applications in medicinal chemistry.
  • Potential Synthesis Pathways: The synthesis of such a compound is a technical challenge that may involve various organic reactions, such as nucleophilic substitutions and coupling reactions. This can serve as an excellent learning experience for students studying organic synthesis.
  • Environmental Considerations: Organophosphorus compounds are often scrutinized for their impact on the environment. As a student in chemistry, one might explore the degradation pathways and biocompatibility of this compound, contributing to green chemistry initiatives.
  • Interdisciplinary Connections: Studying a compound like this bridges the fields of chemistry, biochemistry, and materials science. Understanding its properties encourages collaboration among scientists from different disciplines.

This compound exemplifies the intricate and interconnected world of chemical research, highlighting the importance of detailed study and innovation within this essential field.

Synonyms
Distigmine
Distigmine ion
Distigmine cation
17299-00-2
Distigmine [WHO-DD]
Hexamarium
UNII-T940307O7B
T940307O7B
CHEBI:80756
Pyridinium, 3,3'-(1,6-hexanediylbis((methylimino)carbonyloxy))bis(1-methyl-
(1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonylamino]hexyl]carbamate
DTXSID00169484
3,3'-(1,6-hexanediylbis((methylimino)carbonyloxy))bis(1-methyl-pyridinium)
3,3'-{hexane-1,6-diylbis[(methylcarbamoyl)oxy]}bis(1-methylpyridin-1-ium)
3,3'-{hexane-1,6-diylbis[(methylcarbamoyl)oxy]}bis(1-methylpyridinium)
Pyridinium, 3,3'-[1,6-hexanediylbis[(methylimino)carbonyloxy]]bis[1-methyl-
3,3'-(hexane-1,6-diylbis((methylcarbamoyl)oxy))bis(1-methylpyridin-1-ium)
3,3'-(hexane-1,6-diylbis((methylcarbamoyl)oxy))bis(1-methylpyridinium)
1-methyl-3-((methyl((6-(methyl((((1-methylpyridin-1-ium-3-yl)oxy)carbonyl))amino)hexyl))carbamoyl)oxy)pyridin-1-ium
1-methyl-3-{[methyl({6-[methyl({[(1-methylpyridin-1-ium-3-yl)oxy]carbonyl})amino]hexyl})carbamoyl]oxy}pyridin-1-ium
CHEMBL1199307
DTXCID1091975
SCHEMBL16674116
AHZBEVXBKNYXPU-UHFFFAOYSA-N
DB13694
NCGC00510033-02
DB-064890
NS00006683
Q27149809