Baclofen hydrochlorideProduct ingredient for Baclofen

Name
Baclofen hydrochloride
Drug Entry
Baclofen

Baclofen is a gamma-aminobutyric acid (GABA) agonist used as a skeletal muscle relaxant. Although originally designed in 1962 to treat epilepsy, baclofen was not effective in treating this condition but instead was shown to reduce spasticity in selected patients.8 Baclofen was reintroduced in 1971 as a treatment for spasticity and was later approved by the FDA in 1977.6,8 Baclofen is used to manage severe muscle spasms of cerebral or spinal cord origins, including multiple sclerosis and traumatic brain injury.11

Baclofen was investigated for use in alcohol dependence and withdrawal; however, evidence is limited and there is inconsistent evidence to suggest its clinical efficacy in managing alcohol dependence or withdrawal symptoms.1,2,8

Accession Number
DBSALT002256
Structure
Synonyms
Not Available
UNII
64OSE3996V
CAS Number
28311-31-1
Weight
Average: 250.12
Monoisotopic: 249.0323341
Chemical Formula
C10H13Cl2NO2
InChI Key
WMNUVYYLMCMHLU-UHFFFAOYSA-N
InChI
InChI=1S/C10H12ClNO2.ClH/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H
IUPAC Name
4-amino-3-(4-chlorophenyl)butanoic acid hydrochloride
SMILES
Cl.NCC(CC(O)=O)C1=CC=C(Cl)C=C1
ChemSpider
5035036
ChEMBL
CHEMBL1897150
Predicted Properties
PropertyValueSource
Water Solubility0.712 mg/mLALOGPS
logP-0.82ALOGPS
logP-0.78Chemaxon
logS-2.5ALOGPS
pKa (Strongest Acidic)3.89Chemaxon
pKa (Strongest Basic)9.79Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area63.32 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity54.83 m3·mol-1Chemaxon
Polarizability21.12 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon