CAS 69308-37-8 | (R)-4-Amino-3-(4-chlorophenyl)butanoic acid | CAS Number 69308-37-8

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69308-37-8 | (R)-4-Amino-3-(4-chlorophenyl)butanoic acid

CAS No: 69308-37-8 Catalog No: AG0036TB MDL No:MFCD01321057

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.661g/mol

Monoisotopic Mass:

213.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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