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CAS 1427381-00-7

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β-Alanine, N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-methyl-, hydrochloride (1:1)

Description:
β-Alanine, N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-methyl-, hydrochloride (1:1) is a chemical compound characterized by its unique structure, which includes a β-alanine backbone modified with a 3,5-dimethyl-4-isoxazolyl group. This compound is typically encountered as a hydrochloride salt, enhancing its solubility in aqueous solutions. The presence of the isoxazole ring contributes to its potential biological activity, making it of interest in pharmaceutical research. β-Alanine itself is a non-essential amino acid that plays a role in the synthesis of carnosine, a dipeptide important for muscle function and pH regulation during exercise. The specific modifications in this compound may influence its pharmacokinetic properties, such as absorption, distribution, metabolism, and excretion. Additionally, the hydrochloride form indicates that it can be used in various formulations, potentially affecting its stability and bioavailability. Overall, this compound's characteristics suggest it may have applications in medicinal chemistry and biochemistry, warranting further investigation into its properties and potential uses.
Formula:C10H16N2O3·ClH
InChI:InChI=1S/C10H16N2O3.ClH/c1-7-9(8(2)15-11-7)6-12(3)5-4-10(13)14;/h4-6H2,1-3H3,(H,13,14);1H
InChI key:InChIKey=XBQSRUBQUHJMID-UHFFFAOYSA-N
SMILES:C(N(CCC(O)=O)C)C=1C(C)=NOC1C.Cl
Synonyms:
  • β-Alanine, N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-methyl-, hydrochloride (1:1)
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