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Home Halogens (R)-4-Amino-3-(4-chlorophenyl)butanoic acid

(R)-4-Amino-3-(4-chlorophenyl)butanoic acid

CAS No.:
69308-37-8
Catalog Number:
AG0036TB
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$125
- +
1g
98%
In Stock USA
United States
$313
- +
5g
98%
In Stock USA
United States
$938
- +
10g
98%
In Stock USA
United States
$1500
- +
25g
98%
In Stock USA
United States
$3000
- +
Product Description
Catalog Number:
AG0036TB
Chemical Name:
(R)-4-Amino-3-(4-chlorophenyl)butanoic acid
CAS Number:
69308-37-8
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
MDL Number:
MFCD01321057
IUPAC Name:
(3R)-4-amino-3-(4-chlorophenyl)butanoic acid
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
InChI Key:
KPYSYYIEGFHWSV-QMMMGPOBSA-N
SMILES:
NC[C@@H](c1ccc(cc1)Cl)CC(=O)O
UNII:
NYU6UTW25B
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
Discovery of a novel potent GABA(B) receptor agonist. Bioorganic & medicinal chemistry letters 20111101
Efficacy and safety study of arbaclofen placarbil in patients with spasticity due to spinal cord injury. Spinal cord 20110901
Arbaclofen placarbil, a novel R-baclofen prodrug: improved absorption, distribution, metabolism, and elimination properties compared with R-baclofen. The Journal of pharmacology and experimental therapeutics 20090901
QSAR and molecular modeling studies of baclofen analogues as GABA(B) agonists. Insights into the role of the aromatic moiety in GABA(B) binding and activation. Journal of medicinal chemistry 20010524
Expression cloning of GABA(B) receptors uncovers similarity to metabotropic glutamate receptors. Nature 19970320
Properties