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(R) -Baclofen hydrochloride

CAT: 0013-GTR19202886-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202886-01Size:10 mg
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Description
Arbaclofen hydrochloride is a selective GABA-B receptor agonist used to manage spasticity, particularly from spinal cord injury, by reducing excitatory neurotransmission. It is widely applied in neuroscience research to study GABAergic signaling in both in vitro receptor assays and in vivo models of spasticity and hyperreflexia.
CAS Number
63701-55-3
Field of Research
Neuroscience, 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

Arbaclofen Hydrochloride
CAS Number63701-55-3
PubChem CID44601
IUPAC Name(3R)-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-;/m0./s1
InChIKey
WMNUVYYLMCMHLU-QRPNPIFTSA-N
Chemical Structure
2D Structure
2D structure of Arbaclofen Hydrochloride
CAS: 63701-55-3
CID: 44601
Formula: C10H13Cl2NO2
MW: 250.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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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