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Varenicline

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Identification
Molecular formula
C13H18N2O2
CAS number
249296-44-4
IUPAC name
trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]ammonium
State
State

At room temperature, varenicline is in a solid state as a crystalline powder. It is stable under standard conditions and is used in its solid form in medication formulations.

Melting point (Celsius)
230.00
Melting point (Kelvin)
503.15
Boiling point (Celsius)
296.00
Boiling point (Kelvin)
569.15
General information
Molecular weight
317.20g/mol
Molar mass
317.2020g/mol
Density
1.1560g/cm3
Appearence

Varenicline typically appears as a white to off-white crystalline powder. It is soluble in water and some organic solvents, which contributes to its efficacy as a pharmacological compound.

Comment on solubility

Solubility of Trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]ammonium (C13H18N2O2)

When examining the solubility of trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]ammonium, several important factors emerge:

  • Polarity: The presence of the ammonium group suggests that this compound may have some degree of polarity, which often enhances its ability to dissolve in polar solvents.
  • Functional Groups: The 2-oxopyrrolidine moiety and the alkyne structure may also influence solubility. Functional groups such as carbonyls and amines typically interact favorably with water, indicating a potential solubility in aqueous environments.
  • Solvent Compatibility: This compound may be more soluble in organic solvents such as acetone or methanol compared to water, due to its larger non-polar hydrocarbon chain fraction.
  • pH Dependency: Being an ammonium compound suggests that its solubility could also be pH-dependent, possibly increasing in more acidic conditions.

In summary, while the exact solubility of trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]ammonium in different solvents requires empirical testing, its structural features indicate potential solubility in both polar and non-polar environments. Always remember that solubility is not solely determined by structure—it can also vary with factors like temperature and concentration.

Interesting facts

Interesting Facts about Trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]ammonium

Trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]ammonium is a fascinating compound that showcases the intriguing world of quaternary ammonium salts. Here are some engaging insights about this compound:

  • Structural Diversity: This compound features a unique structure with a pyrrolidinone moiety, which contributes to its functional versatility. The incorporation of a but-2-ynyl group enhances its reactivity, making it useful in various organic synthesis applications.
  • Biological Relevance: Compounds like this which include nitrogen must often be explored for their potential biological activities. Research suggests that derivatives of pyrrolidinones can exhibit interesting pharmaceutical properties, including anti-inflammatory and antimicrobial effects.
  • Role in Ionic Liquids: Quaternary ammonium compounds are well-known for their application in the field of ionic liquids, which have garnered attention for their environmentally friendly characteristics and use as solvents for chemical reactions.
  • Versatile Applications: Trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]ammonium can find application in various industries, from agriculture as a biocide to pharmaceuticals. Its ability to form complexes can be advantageous in drug formulation.
  • Implications for Drug Design: The presence of both a nitrogen atom and a carbon-carbon triple bond (alkyne) in its structure may allow for the design of new drug candidates with improved bioavailability or targeted action.

In summary, trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]ammonium is more than just a compound; it serves as a testament to the complexities and applications found in modern chemistry. As scientific exploration continues, understanding and manipulating such compounds can yield innovative solutions and advance therapeutic techniques.

Synonyms
Oxotremorine M
oxotremorine-M
63939-65-1
VWS78J9ZUJ
N,N,N-trimethyl-4-(2-oxopyrrolidin-1-yl)but-2-yn-1-aminium
CHEBI:38322
2-Butyn-1-aminium, N,N,N-trimethyl-4-(2-oxo-1-pyrrolidinyl)-
trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium
N,N,N-Trimethyl-4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-aminium
CHEMBL23957
[3H]oxotremorine-M
Spectrum_001982
Tocris-1067
OXO-M
Lopac-O-100
UNII-VWS78J9ZUJ
Lopac0_000954
GTPL303
KBioSS_002548
CHEMBL44674
DivK1c_000379
GTPL8595
SCHEMBL4542695
KBio1_000379
KBio2_002539
KBio2_005107
KBio2_007675
CANZROMYQDHYHR-UHFFFAOYSA-N
NINDS_000379
BDBM50005677
PDSP1_000571
PDSP2_000569
CCG-205035
IDI1_000379
NCGC00015758-01
NCGC00015758-02
NCGC00015758-03
NCGC00015758-04
NCGC00015758-08
NCGC00024979-01
NCGC00024979-02
L000458
BRD-K01942991-005-08-2
Q27088224
Trimethyl-[4-(2-oxo-pyrrolidin-1-yl)-but-2-ynyl]-ammonium; iodide