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Tiotropium bromide

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Identification
Molecular formula
C19H22NO4S2Br
CAS number
136310-93-5
IUPAC name
2-[2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxyethyl-diethyl-methyl-ammonium;bromide
State
State

Tiotropium bromide is typically found as a solid at room temperature, often formulated as an inhalation powder.

Melting point (Celsius)
225.00
Melting point (Kelvin)
498.00
Boiling point (Celsius)
335.00
Boiling point (Kelvin)
608.00
General information
Molecular weight
472.57g/mol
Molar mass
472.5730g/mol
Density
1.5000g/cm3
Appearence

Tiotropium bromide appears as a white to off-white crystalline powder.

Comment on solubility

Solubility of 2-[2-Cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxyethyl-diethyl-methyl-ammonium bromide

The solubility of the compound 2-[2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxyethyl-diethyl-methyl-ammonium bromide (C19H22NO4S2Br) can be quite intriguing due to its unique structure and the presence of various functional groups. Here’s what we can explore regarding its solubility:

  • Solvent Types: The solubility of this compound is likely to vary significantly between polar and non-polar solvents. Compounds containing ammonium groups often show better solubility in polar solvents such as water or methanol due to hydrogen bonding capabilities.
  • Ionic Nature: The presence of the bromide ion suggests that the compound may dissociate in solution, enhancing its solubility in aqueous environments.
  • Hydrophobic Characteristics: The cyclopentyl and thienyl groups contribute to hydrophobic nature, which may impede solubility in water. However, they may assist in organic solvents.
  • Temperature Influence: As with many compounds, solubility can increase with temperature, making it more versatile under different conditions.
  • Potential Applications: Understanding its solubility holds value for applications in pharmaceuticals and agrochemicals, where solubility directly affects bioavailability.

In conclusion, the solubility of this complex compound can be described as multi-faceted, depending on the interplay of its ionic character and hydrophobic groups, and the solvents used. Experimenting with different environments will provide clearer insights into its solubility behavior.

Interesting facts

Interesting Facts about 2-[2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxyethyl-diethyl-methyl-ammonium bromide

This compound, known for its complex structure and unique properties, has captured the interest of various fields, particularly in medicinal chemistry. Here are some intriguing aspects:

  • Structural Diversity: The presence of both a cyclopentyl group and a thienyl ring contributes to the compound's unique characteristics. This diversity can affect how the compound interacts with biological targets.
  • Pharmacological Potential: Compounds with a similar structure have been investigated for their potential as drug candidates. They may exhibit activities such as anti-inflammatory and antiviral properties.
  • Chirality: This compound possesses stereogenic centers that may result in enantiomers with differing biological activities. Such distinctions often require careful consideration during the drug development process.
  • Ionizing Properties: As a quaternary ammonium salt, this compound may have unique ion-pairing capabilities, potentially enhancing its solubility and reactivity in various environments.

This compound serves as a reminder of the intricate relationships between molecular structure and functionality. Understanding these interactions is crucial for advancing fields such as pharmaceutical chemistry and material science.

In the world of compound synthesis, it's fascinating to consider how even minor alterations in the molecular framework can lead to significant changes in behavior and application. As scientists continue to explore the capabilities of such compounds, we may uncover novel therapeutic strategies or materials with cutting-edge properties.

Synonyms
PENTHIENATE BROMIDE
Monodral bromide
60-44-6
WIN 4369
NSC-61814
MA4DVZ926O
2-Diethylaminoethyl 2-cyclopentyl-2-(2-thienyl)hydroxyacetate methobromide
EINECS 200-478-2
NSC 61814
Penthienate bromide [NF]
UNII-MA4DVZ926O
Monodral
Ammonium, diethyl(2-hydroxyethyl)methyl-, alpha-cyclopentyl-2-thiopheneglycolate (ester)
2-Diethylaminoethyl alpha-cyclopentyl-2-thiopheneglycolate methobromide
2-(alpha-Cyclopentyl-alpha-2-thienylglycolloyloxy)ethyldiethyl(methyl)ammonium bromide
alpha-Cyclopentyl-2-thiopheneglycolate diethyl(2-hydroxyethyl)methylammonium bromide
Diethyl(2-hydroxyethyl)methylammonium bromide, alpha-cyclopentyl-2-thiopeneglycolate
Ethanaminium, 2-((cyclopentylhydroxy-2-thienylacetyl)oxy)-N,N-diethyl-N-methyl-, bromide
SCHEMBL250881
Penthienate bromide (NF XIII)
CHEMBL2105315
PENTHIENATE BROMIDE [MI]
DTXSID60875110
NSC61814
PENTHIENATE BROMIDE [MART.]
PENTHIENATE BROMIDE [WHO-DD]
Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-cyclopentyl-2-thiopheneglycolate
D07081
WLN: T5SJ BXQVO2K2&2&1&- AL5TJ &Q &E
Q27283749
Ammonium, bromide, .alpha.-cyclopentyl-2-thiopheneglycolate
2-Diethylaminoethyl .alpha.-cyclopentyl-2-thiopheneglycolate methobromide
.alpha.-Cyclopentyl-2-thiopheneglycolate diethyl(2-hydroxyethyl)methylammonium bromide
Ammonium, diethyl(2-hydroxyethyl)methyl-, -cyclopentyl-2-thiopheneglycolate (ester)
Diethyl(2-hydroxyethyl)methylammonium bromide, .alpha.-cyclopentyl-2-thiopheneglycolate
2-(2-Cyclopentyl-2-hydroxy-2-(thiophen-2-yl)acetoxy)-N,N-diethyl-N-methylethanaminium bromide