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Tiotropium bromide

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Identification
Molecular formula
C19H22NO4Br2
CAS number
136310-93-5
IUPAC name
dimethyl-[2-[2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propyl]sulfanylethyl]ammonium;2-hydroxy-2-oxo-acetate
State
State

Tiotropium bromide is in a solid state at room temperature, commonly available as a monohydrate salt for pharmaceutical applications.

Melting point (Celsius)
225.00
Melting point (Kelvin)
498.15
Boiling point (Celsius)
200.00
Boiling point (Kelvin)
473.15
General information
Molecular weight
472.58g/mol
Molar mass
472.5760g/mol
Density
1.5000g/cm3
Appearence

Tiotropium bromide is a white to yellowish-white crystalline powder. It is typically described as being odorless.

Comment on solubility

Solubility of Dimethyl-[2-[2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propyl]sulfanylethyl]ammonium; 2-hydroxy-2-oxo-acetate

The compound dimethyl-[2-[2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propyl]sulfanylethyl]ammonium; 2-hydroxy-2-oxo-acetate showcases interesting solubility characteristics, influenced by its complex structure comprising both organic and ionic components.

Factors Affecting Solubility:

  • Polarity: The presence of polar functional groups, such as -OH in the 2-hydroxy-2-oxo-acetate portion, enhances the potential for solubility in polar solvents like water.
  • Hydrophobic Interactions: The inclusion of the 1-naphthylmethyl moiety and tetrahydrofuran ring can introduce hydrophobic effects, which may hinder solubility in polar environments.
  • Ionic Nature: As an ammonium compound, the ionic character can facilitate solubility in polar solvents, but interactions between various groups could complicate the overall solubility picture.

Overall, it is anticipated that this compound may have decent solubility in polar solvents, particularly in water, due to its ionic ammonium features, while being less soluble in non-polar solvents due to its hydrophobic regions. Additional studies and empirical data would be needed to establish precise solubility limits and behavior in various solvents.

Interesting facts

Dimethyl-[2-[2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propyl]sulfanylethyl]ammonium; 2-hydroxy-2-oxo-acetate

This intriguing compound, known for its multifaceted structure, features a unique combination of organic elements that showcase the beauty and complexity of chemical synthesis. Here are some fascinating aspects about this compound:

  • Structural Diversity: The compound encompasses a dimethylammonium moiety, a tetrahydrofuran ring, and a naphthylmethyl group, illustrating the potential for structural diversity in organic chemistry.
  • Sulfanyl Group: The presence of a sulfanyl group in its structure not only contributes to the overall reactivity of the compound but also enhances its potential applications in medicinal chemistry.
  • Applications: Due to its complex architecture, this compound could be of interest in fields such as drug design where compounds with multiple bioactive parts are critical for efficacy.
  • Biocompatibility: Compounds with tetrahydrofuran and naphthyl groups are often associated with biocompatibility, making them potential candidates for pharmaceuticals or materials intended for biological interactions.
  • Stereochemistry: The stereochemical configuration of parental compounds in this structure can significantly influence the biological activity, showcasing the importance of chirality in drug development.

As scientists continue to explore the realms of complex organic molecules, compounds like dimethyl-[2-[2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propyl]sulfanylethyl]ammonium; 2-hydroxy-2-oxo-acetate remind us of the incredible intricacies found within chemical systems. Each component plays a vital role in understanding the potential functions and behaviors of such compounds.

In the words of prominent chemist Linus Pauling, "The best way to have a good idea is to have a lot of ideas." This compound certainly reflects the creativity and innovation that can arise from the intersection of different chemical classes.

Synonyms
2-Furanpropanethiol, tetrahydro-S-(2-dimethylaminoethyl)-beta-(1-naphthylmethyl)-, oxalate
1-Naphthalenepropanethiol, S-(2-dimethylaminoethyl)-beta-(tetrahydrofurfuryl)-, oxalate
S-(2-Dimethylaminoethyl)-beta-(tetrahydrofurfuryl)-1-naphthalenepropanethiol oxalate
15224-79-0