(-)-baclofen   Click here for help

GtoPdb Ligand ID: 1064

Synonyms: (R)-(-)-baclofen | p-chlorophenyl GABA
PDB Ligand
Compound class: Synthetic organic
Comment: (-)-baclofen is a component of the approved drug baclofen, a racemic mixture of two enantiomers, as well as being assigned the INN arbaclofen in its own right.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 63.32
Molecular weight 213.06
XLogP 1.33
No. Lipinski's rules broken 0
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Canonical SMILES NCC(c1ccc(cc1)Cl)CC(=O)O
Isomeric SMILES NC[C@@H](c1ccc(cc1)Cl)CC(=O)O
InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
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Summary of Clinical Use Click here for help
As one of the enantiomers in the approved drug baclofen, this skeletal muscle relaxant is used to reduce the frequency of muscle spasms and muscle spasticity associated with spinal chord injury.