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Ipratropium bromide

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Identification
Molecular formula
C20H30ClNO3
CAS number
22254-24-6
IUPAC name
4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethyl-ammonium
State
State

At room temperature, ipratropium bromide is typically available in a solid powdered form.

Melting point (Celsius)
232.00
Melting point (Kelvin)
505.15
Boiling point (Celsius)
244.00
Boiling point (Kelvin)
517.15
General information
Molecular weight
430.38g/mol
Molar mass
430.3760g/mol
Density
1.5342g/cm3
Appearence

Ipratropium bromide appears as a white or off-white crystalline powder.

Comment on solubility

Solubility of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethyl-ammonium

The solubility characteristics of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethyl-ammonium (C20H30ClNO3) can be quite intriguing and are influenced by several factors. Here are some key aspects to consider:

  • Polarity: The presence of the trimethylammonium group often contributes to significant polarity, potentially enhancing solubility in polar solvents such as water.
  • Hydrogen Bonding: The carbamoyloxy functional group can engage in hydrogen bonding, which may further promote solubility in aqueous environments.
  • Chlorine Substitution: The 3-chlorophenyl moiety may introduce variations in solubility, as the chlorine atom can alter the overall hydrophobic character of the compound.
  • Solvent Characteristics: It is also critical to consider the solvent; solvent interactions can greatly affect solubility. For example:
    • In polar solvents: Increased solubility is often observed.
    • In non-polar solvents: Limited solubility might be expected due to the compound's polar nature.

In summary, the solubility of this compound is the result of a balance between its molecular structure and the nature of the solvent. Investigating the solubility can lead to valuable insights into its behavior in various chemical contexts.

Interesting facts

Interesting Facts about 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethyl-ammonium

4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethyl-ammonium is a fascinating compound that blends organic chemistry with pharmacological potential. Here are some key insights into this intriguing molecule:

  • Structural Composition: This compound contains a unique combination of functional groups, notably a chlorophenyl moiety, a carbamoyloxy group, and a trimethylammonium ion, making it a strong candidate for study in medicinal chemistry.
  • Biological Relevance: Due to its structural characteristics, compounds like this have been investigated for their potential use in treating various conditions, including neurological disorders and other diseases influenced by cholinergic pathways.
  • Chlorine Impact: The presence of the chlorine atom in the phenyl group can influence the lipophilicity and overall reactivity of the molecule, potentially enhancing its biological activity compared to its non-chlorinated analogs.
  • Trimethylammonium Role: The trimethylammonium part of the molecule introduces cationic properties, allowing it to interact effectively with negatively charged biomolecules, which can improve cell permeability and target specificity.
  • Research Applications: Such compounds are often subjects of research in the field of molecular pharmacology, where scientists explore their interactions at the molecular level to develop new therapeutic agents.

In summary, 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethyl-ammonium embodies the intricate interplay of structure, function, and biological activity. Its analysis not only enriches the understanding of chemical interactions but also opens pathways for the development of advanced pharmacological agents.

Synonyms
UNII-JO67EL43YO
JO67EL43YO
(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium
7614-29-1
4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium
(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium ion
(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium cation
Ammonium, (4-hydroxy-2-butynyl)trimethyl-, m-chlorocarbanilate (ester)
CHEMBL40554
Pyrrolidinium, 1-((3S)-3-cycloh2-butyn-1-aminium, 4-((((3-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-
DTXSID70226997
CHEMBL74300
50510-07-1
NCGC00015261-01
Lopac-C-7041
Lopac0_000277
DTXCID00149488
BDBM50006584
CCG-204372
NCGC00015261-02
NCGC00015261-03
NCGC00015261-04
NCGC00015261-08
NCGC00162115-01
NCGC00162115-02
NCGC00163255-01
Q27281599
4-(3-chlorophenylcarbamoyloxy)-N,N,N-trimethylbut-2-yn-1-aminium
[4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride
4-(((3-Chlorophenyl)carbamoyl)oxy)-N,N,N-trimethylbut-2-yn-1-aminium
4-[N-(3-chlorophenyl)carbamoyloxy]-2-butynyltrimethylammonium chloride
(McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride
[4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride (McN-A-343)
4-((3-chlorophenyl)carbamoyloxy)-N,N,N-trimethylbut-2-yn-1-aminium chloride