CAS 1332528-81-0

5-Isoxazolecarboxylic acid, 4-(1H-imidazol-1-ylmethyl)-3-methyl-, hydrobromide (1:1)

Description:

5-Isoxazolecarboxylic acid, 4-(1H-imidazol-1-ylmethyl)-3-methyl-, hydrobromide (1:1) is a chemical compound characterized by its unique structural features, which include an isoxazole ring and an imidazole moiety. The presence of the isoxazole ring contributes to its potential biological activity, as this heterocyclic structure is often found in various pharmaceuticals. The hydrobromide salt form indicates that the compound is protonated, enhancing its solubility in polar solvents, which is advantageous for biological assays and formulations. This compound may exhibit properties such as antimicrobial or anti-inflammatory activity, typical of many derivatives containing isoxazole and imidazole groups. Its molecular interactions are influenced by the functional groups present, which can participate in hydrogen bonding and other intermolecular forces. The compound's stability, reactivity, and potential applications in medicinal chemistry are subjects of interest, particularly in the development of new therapeutic agents. As with any chemical, safety data and handling precautions should be reviewed before use.

Formula: C₉H₉N₃O₃·BrH

InChI: InChI=1S/C9H9N3O3.BrH/c1-6-7(4-12-3-2-10-5-12)8(9(13)14)15-11-6;/h2-3,5H,4H2,1H3,(H,13,14);1H

InChI key: InChIKey=PQVHSPDOIPENOJ-UHFFFAOYSA-N

SMILES: C(C1=C(C(O)=O)ON=C1C)N2C=CN=C2.Br

Synonyms:

• 5-Isoxazolecarboxylic acid, 4-(1H-imidazol-1-ylmethyl)-3-methyl-, hydrobromide (1:1)