CAS 85896-06-6

1,4-Cyclohexadiene-1-acetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (αR)-

Description:

1,4-Cyclohexadiene-1-acetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (αR)-, is a chemical compound characterized by its unique structure that includes a cyclohexadiene ring and an acetic acid moiety. This compound features an amino group linked to a propenyl chain, which contributes to its reactivity and potential biological activity. As a monopotassium salt, it possesses enhanced solubility in aqueous solutions, making it suitable for various applications, including potential pharmaceutical uses. The presence of the ethoxy and keto groups in its structure may influence its interaction with biological systems, potentially affecting its pharmacokinetics and pharmacodynamics. The (αR)- designation indicates a specific stereochemistry, which can be crucial for its biological activity. Overall, this compound's characteristics suggest it may have applications in medicinal chemistry, particularly in the development of therapeutic agents. However, detailed studies would be necessary to fully understand its properties and potential uses.

Formula: C₁₄H₁₉NO₄·K

InChI: InChI=1S/C14H19NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-5,8-9,13,15H,3,6-7H2,1-2H3,(H,17,18);/t13-;/m1./s1

InChI key: InChIKey=SOILCJDBRKTYJP-BTQNPOSSSA-N

SMILES: [C@H](NC(=CC(OCC)=O)C)(C(O)=O)C=1CC=CCC1.[K]

Synonyms:

• 1,4-Cyclohexadiene-1-acetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (R)-
• 1,4-Cyclohexadiene-1-acetic acid, α-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (αR)-
• Potassium (R)-alpha-((3-ethoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate
• potassium (2R)-2-(1-cyclohexa-1,4-dienyl)-2-[(3-ethoxy-1-methyl-3-oxo-prop-1-enyl)amino]acetate