Molecular Identity
Baclofen
4-amino-3-(4-chlorophenyl)butanoic acid
PubChem CID: 2284
Baclofen is a monocarboxylic acid that is butanoic acid substituted by an amino group at position 4 and a 4-chlorophenyl group at position 3. It acts as a central nervous system depressant, GABA agonist and muscle relaxant. It has a role as a central nervous system depressant, a muscle relaxant and a GABA agonist. It is a monocarboxylic acid, a gamma-amino acid, a primary amino compound and a member of monochlorobenzenes. It is a tautomer of a baclofen zwitterion.
2D Structure
Properties
C10H12ClNO2
Molecular Formula
213.66
Molecular Weight
g/mol
213.0557
Exact Mass
Da
-1
XLogP
Drug-like (Lipinski: < 5)
63.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
191
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)ClIsomeric SMILES
SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)ClSynonyms(20)
baclofen1134-47-0Lioresal4-Amino-3-(4-chlorophenyl)butanoic acidBaclonKemstroDL-BaclofenBaclofeneBaclofeno4-Amino-3-(4-chlorophenyl)butyric acid(+-)-BaclofenBaclofenumBaclophenbeta-(4-Chlorophenyl)gabaLioresal Intrathecal
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Baclofen
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