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CAS 331763-58-7

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Benzenebutanoic acid, β-amino-4-chloro-, hydrochloride (1:1), (βS)-

Description:
Benzenebutanoic acid, β-amino-4-chloro-, hydrochloride (1:1), (βS)- is a chemical compound characterized by its structural features, which include a benzenebutanoic acid backbone with a β-amino group and a 4-chloro substituent. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and may influence its pharmacological properties. The presence of the β-amino group suggests potential interactions with biological systems, making it of interest in medicinal chemistry. The (βS)- designation indicates the specific stereochemistry of the compound, which can significantly affect its biological activity and interactions with receptors or enzymes. As a hydrochloride salt, it is likely to be more stable and easier to handle in laboratory settings. Overall, this compound may exhibit properties relevant to drug development, particularly in the context of its potential therapeutic applications. However, specific biological activities, toxicity, and pharmacokinetics would require further investigation through empirical studies.
Formula:C10H12ClNO2ClH
InChI:InChI=1S/C10H12ClNO2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m0./s1
InChI key:InChIKey=PUVXCDYJZZWKMH-FVGYRXGTSA-N
SMILES:C([C@@H](CC(O)=O)N)C1=CC=C(Cl)C=C1.Cl
Synonyms:
  • Benzenebutanoic acid, b-amino-4-chloro-,hydrochloride, (bS)- (9CI)
  • Benzenebutanoic acid, β-amino-4-chloro-, hydrochloride, (βS)-
  • Benzenebutanoic acid, β-amino-4-chloro-, hydrochloride (1:1), (βS)-
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