Molecular Identity
(S)-Baclofen
(3S)-4-amino-3-(4-chlorophenyl)butanoic acid
PubChem CID: 44600
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=C1[C@H](CC(=O)O)CN)ClSynonyms(20)
(S)-Baclofen66514-99-6(S)-4-Amino-3-(4-chlorophenyl)butanoic acidl-Baclofen(+)-BaclofenS(+)-BaclofenL-(+)-Baclofen(L)-Baclofen(3S)-4-amino-3-(4-chlorophenyl)butanoic acidBaclofen, (S)-3OHN4989XMBACLOFEN, S-BACLOFEN, S(+)-Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, (betaS)-BENZENEPROPANOIC ACID, .BETA.-(AMINOMETHYL)-4-CHLORO-, (.BETA.S)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to (S)-Baclofen
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