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(S) -Baclofen hydrochloride

CAT: 0013-GTR19241590-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241590-01Size:10 mg
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Description
(S) -Baclofen (L-Baclofen) is the biologically active enantiomer that selectively acts as a GABA-B receptor agonist. It shows superior efficacy to the racemate in models of trigeminal neuralgia and is a key tool for studying receptor function in neurological research, both in vitro and in vivo.
CAS Number
63701-56-4
Field of Research
Pharmacology & Drug Discovery
Smiles
[C@@H] (CC (O) =O) (CN) C1=CC=C (Cl) C=C1.Cl
Molecular Formula
C10H13Cl2NO2
Molecular Weight
250.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, hydrochloride (1:1), (betaS)-
CAS Number63701-56-4
PubChem CID44599
IUPAC Name(3S)-4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity191
SMILES
C1=CC(=CC=C1[C@H](CC(=O)O)CN)Cl.Cl
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/t8-;/m1./s1
InChIKey
WMNUVYYLMCMHLU-DDWIOCJRSA-N
Chemical Structure
2D Structure
2D structure of Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, hydrochloride (1:1), (betaS)-
CAS: 63701-56-4
CID: 44599
Formula: C10H13Cl2NO2
MW: 250.12
Interactive 3D Structure
Loading 3D structure...
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Computed Properties
PropertyValue
Molecular Weight250.12
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass249.0323340
Monoisotopic Mass249.0323340
Topological Polar Surface Area63.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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