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(R) -Baclofen (hydrochloride)

CAT: 0804-HY-17354A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17354A-01Size:5 mg
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Description
(R) -Baclofen hydrochloride (Arbaclofen hydrochloride) is a selective GABAB receptor agonist[1][2].
CAS Number
63701-55-3
Product Name Alternative
Arbaclofen (hydrochloride) ; STX 209 (hydrochloride)
UNSPSC
12352005
Hazard Statement
H302-H312-H332
Target
GABA Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/_r_-baclofen-hydrochloride.html
Solubility
10 mM in DMSO
Smiles
ClC1=CC=C([C@](CC(O)=O)([H])CN)C=C1.Cl
Molecular Formula
C10H13Cl2NO2
Molecular Weight
250.12
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501
References & Citations
[1]Mezler M, et al. Cloning and functional expression of GABA (B) receptors from Drosophila. Eur J Neurosci. 2001 Feb;13 (3) :477-86.|[2]Dzitoyeva S, et al. Gamma-aminobutyric acid B receptor 1 mediates behavior-impairing actions of alcohol in Drosophila: adult RNA interference and pharmacological evidence. Proc Natl Acad Sci U S A. 2003 Apr 29;100 (9) :5485-90. Epub 2003 Apr 11.|[3]Henderson C, et al. Reversal of disease-related pathologies in the fragile X mouse model by selective activation of GABAB receptors with arbaclofen. Sci Transl Med. 2012 Sep 19;4 (152) :152ra128.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Launched

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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