CAS 1228070-79-8

2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-3-oxo-, ethyl ester, hydrochloride (1:1)

Description:

2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-3-oxo-, ethyl ester, hydrochloride (1:1) is a chemical compound characterized by its benzothiazine core structure, which features a fused benzene and thiazine ring. This compound typically exhibits properties associated with both acidic and ester functionalities, making it relevant in various chemical reactions and applications. The presence of the ethyl ester group suggests it may have moderate lipophilicity, potentially influencing its solubility and bioavailability in biological systems. The hydrochloride form indicates that the compound is a salt, which often enhances its stability and solubility in aqueous solutions. This compound may be of interest in medicinal chemistry due to its structural features, which could be linked to biological activity. However, specific pharmacological properties, toxicity, and detailed applications would require further investigation through empirical studies and literature review. As with any chemical substance, proper handling and safety protocols should be observed, especially in laboratory settings.

Formula: C₁₁H₁₁NO₃S·ClH

InChI: InChI=1S/C11H11NO3S.ClH/c1-2-15-11(14)9-10(13)12-7-5-3-4-6-8(7)16-9;/h3-6,9H,2H2,1H3,(H,12,13);1H

InChI key: InChIKey=LMHOTBWXHJAXTB-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1SC=2C(NC1=O)=CC=CC2.Cl

Synonyms:

• 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-3-oxo-, ethyl ester, hydrochloride (1:1)