Basic information
- CAS
63701-56-4- Standard SMILES
Cl.NC[C@@H](CC(=O)O)c1ccc(Cl)cc1- InChIKey
WMNUVYYLMCMHLU-DDWIOCJRSA-N- Molecular formula
- C10H13Cl2NO2
- Average molar mass
- 250.12 g/mol
- Monoisotopic mass
- 249.032334
Names & identifiers
- Preferred name
- Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, hydrochloride (1:1), (betaS)-
- IUPAC
- (3S)-4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride
- English name
- S(-)-BACLOFEN HCL
- Molecular formula
- C10H13Cl2NO2
- Molecular weight
- 250.12172
Names & synonyms
63701-56-4(S)-Baclofen hydrochlorideBaclofen hydrochloride, (S)-799SU69U5PDTXSID00213113RefChem:1078614DTXCID001356044-Amino-3-(4-Chlorophenyl)Butanoic Acid Hydrochloride (S)Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, hydrochloride (1:1), (betaS)-(3S)-4-amino-3-(4-chlorophenyl)butanoic acid hydrochlorideS(-)-BACLOFEN HCLl-Baclofen hydrochloride
Show more names
l-baclofenhydrochloride(-)-baclofenhydrochlorideS(-)-BACLOFENHYDROCHLORIDE(FORR&DONLY)(3S)-4-Amino-3-(4-chlorophenyl)butyric acid hydrochloride(-)-s-3-(p-chlorophenyl)-4-aminobutanoicacidhydrochloridebeta-(aminomethyl)-p-chloro-,hydrochloride,(s)-hydrocinnamicacis(-)-β-(aminomethyl)-4-chlorobenzenepropanoic acid hydrochloridebeta-(aminomethyl)-4-chloro-,hydrochloride,(s)-benzenepropanoicaci
(-)-Baclofen hydrochloride(S)-Baclofen HClUNII-799SU69U5P(-)-S-3-(p-Chlorophenyl)-4-aminobutanoic acid hydrochlorideS-Baclofen HydrochlorideBenzenepropanoic acid, beta-(aminomethyl)-4-chloro-, hydrochloride, (S)-HYDROCINNAMIC ACID, beta-(AMINOMETHYL)-p-CHLORO-, HYDROCHLORIDE, (S)-orb2814777
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 194 · 194-195 °C(Solv: methanol (67-56-1))
- solubility
- 20 mg/mL · DMSO: >20 mg/mL
- form
- solid
- color
- white
- optical activity
- 28 · [α]28/D 2.2°, c = 0.9 in methanol(lit.)
- 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-;/m1./s1
- InChIKey
- WMNUVYYLMCMHLU-DDWIOCJRSA-N
- SMILES
- Cl[H].NC[C@@H](CC(O)=O)c1ccc(Cl)cc1
- FDA UNII
- 799 SU69U5P · 799SU69U5P
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 32 · NA.32
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 5084400 · MW5084400
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- MW5084400
- ridadr
- UN 2811 6.1/PG 3
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemistry & industry
Applications
UsesS(-)-Baclofen Hydrochloride is a GABAB receptor agonist. Also, it is an effective antagonist of muscimol.
Suppliers10 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
BOC Sciences16314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
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Compound notes
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