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CAS 157684-01-0

:

(αS)-α-Amino-4-chlorobenzenebutanoic acid

Description:
(αS)-α-Amino-4-chlorobenzenebutanoic acid, also known as baclofen, is a chemical compound characterized by its structure, which includes an amino group, a carboxylic acid group, and a chlorobenzene moiety. It is a white to off-white crystalline powder that is soluble in water and exhibits a pKa value indicative of its acidic nature. The presence of the 4-chloro substituent on the benzene ring contributes to its biological activity, particularly as a gamma-aminobutyric acid (GABA) analog, which is significant in the central nervous system. Baclofen is primarily used as a muscle relaxant and is effective in treating spasticity resulting from conditions such as multiple sclerosis or spinal cord injuries. Its stereochemistry, denoted by the (αS) configuration, plays a crucial role in its pharmacological properties. The compound is typically administered orally or via intrathecal routes, and its safety profile includes potential side effects such as sedation and dizziness. Overall, (αS)-α-Amino-4-chlorobenzenebutanoic acid is an important therapeutic agent with specific chemical and biological characteristics.
Formula:C10H12ClNO2
InChI:InChI=1S/C10H12ClNO2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,9H,3,6,12H2,(H,13,14)/t9-/m0/s1
InChI key:InChIKey=AQUBLNVPEAFNGD-VIFPVBQESA-N
SMILES:C(C[C@@H](C(O)=O)N)C1=CC=C(Cl)C=C1
Synonyms:
  • (s)-2-Amino-4-(4-chloro-phenyl)-butyric acid
  • Benzenebutanoic acid, α-amino-4-chloro-, (S)-
  • Benzenebutanoic acid, α-amino-4-chloro-, (αS)-
  • (αS)-α-Amino-4-chlorobenzenebutanoic acid
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