MW: 213.66
CAS: 1334-47-0
MDL NUMBER: MFCD00055143
IUPAC: 4-amino-3-(4-chlorophenyl)butanoic acid
Smiles: C(CC(c1ccc(Cl)cc1)CN)(=O)O
THERAPEUTIC CATEGORY: Muscle Relaxant, Antispastic Agent
ACCEPTORS: 2
DONORS: 3
ROTATION BONDS: 4
N+O: 3
Chiral Centers: 1
LogP: 1.78
LogS: -3.19
LIPINSKI: 4
Monograph Number: 0000939
Title: Baclofen
CAS Registry Number: 1134-47-0
CAS Name: b-(Aminomethyl)-4-chlorobenzenepropanoic acid
Additional Names: b-(aminomethyl)-p-chlorohydrocinnamic acid; g-amino-b-(p-chlorophenyl)butyric acid; b-(4-chlorophenyl)GABA
Manufacturers' Codes: Ba-34647
Trademarks: Baclon (Leiras); Clofen (Alphapharm); Lioresal (Novartis)
Molecular Formula: C10H12ClNO2
Molecular Weight: 213.66.
Percent Composition: C 56.21%, H 5.66%, Cl 16.59%, N 6.56%, O 14.98%
Literature References: Specific GABA-B receptor agonist. Prepn: NL 6407755; H. Keberle et al., US 3471548 (1965, 1969 both to Ciba). Toxicity study: T. Tadokoro et al., Osaka Daigaku Igaku Zasshi 28, 265 (1976), C.A. 88, 183016u (1978). Comprehensive description: S. Ahuja, Anal. Profiles Drug Subs. 14, 527-548 (1985). Review of pharmacology and therapeutic efficacy in spasticity: R. N. Brogden et al., Drugs 8, 1-14 (1974); of intrathecal use in spinal cord injury: K. S. Lewis, W. M. Mueller, Ann. Pharmacother. 27, 767-774 (1993). Clinical evaluation in reflex sympathetic dystrophy: B. J. van Hilten et al., N. Engl. J. Med. 343, 625 (2000).
Properties: Crystals from water, mp 206-208 (Keberle); 189-191, (Uchimaru). LD50 in male mice, rats (mg/kg): 45, 78 i.v.; 103, 115 s.c.; 200, 145 orally (Tadokoro).
Melting point: mp 206-208 (Keberle); 189-191, (Uchimaru)
Toxicity data: LD50 in male mice, rats (mg/kg): 45, 78 i.v.; 103, 115 s.c.; 200, 145 orally (Tadokoro)
Derivative Type: Hydrochloride
Molecular Formula: C10H13Cl2NO2
Molecular Weight: 250.12.
Percent Composition: C 48.02%, H 5.24%, Cl 28.35%, N 5.60%, O 12.79%
Properties: mp 179-181.
Melting point: mp 179-181
Therap-Cat: Muscle relaxant (skeletal).
Synonyms: Baclofen(Rs)-
CAS:
MF:
MW:0
EINECS:
Product Categories: Baclofen(Rs)- Baclofen(Rs)-
Usage And Synthesis: Baclofen(Rs)-
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