Basic information
- CAS
66514-99-6- Standard SMILES
NC[C@@H](CC(=O)O)c1ccc(Cl)cc1- InChIKey
KPYSYYIEGFHWSV-MRVPVSSYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0556563
Overview
L-Baclofen has been used in trials studying the treatment of Trigeminal Neuralgia.
Names & identifiers
- Preferred name
- (S)-Baclofen
- IUPAC
- (3S)-4-amino-3-(4-chlorophenyl)butanoic acid
- English name
- S(+)-Baclofen
- Molecular formula
- C10H12ClNO2
- Molecular weight
- 213.66
Names & synonyms
(S)-Baclofen66514-99-6(S)-4-Amino-3-(4-chlorophenyl)butanoic acidl-Baclofen(+)-BaclofenS(+)-BaclofenL-(+)-Baclofen(L)-Baclofen(3S)-4-amino-3-(4-chlorophenyl)butanoic acidBaclofen, (S)-3OHN4989XMBACLOFEN, S-
Show more names
(S)Baclofen,(S) Baclofen(S)-Baclofen hydrochloride saltBalcofen S- isomer/(S)-Baclofen(S)-4-Amino-3-(4-chlorophenyl)butyric acid(βS)-β-(AMinoMethyl)-4-chlorobenzenepropanoic AcidBenzenepropanoic acid, β-(aminomethyl)-4-chloro-, (S)-
BACLOFEN, S(+)-Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, (betaS)-BENZENEPROPANOIC ACID, .BETA.-(AMINOMETHYL)-4-CHLORO-, (.BETA.S)-RefChem:408101(S) 4-Amino-3-(4-Chlorophenyl)Butanoic Acid689-965-2CHEMBL302213(+)-Baclofen; (L)-Baclofen
Database identifiers
- CAS
66514-99-6- PubChem CID
- 44600
- ChEMBL
CHEMBL302213
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 184 · 184-186°C
- Boiling point
- 364.3 · 364.3±32.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Methanol (Slightly), Water (Slightly, Heated)
- form
- Solid
- pka
- 4.04 · 4.04±0.10(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 66514 · 66514-99-6(CAS DataBase Reference)
- FDA UNII
- 3 OHN4989XM · 3OHN4989XM
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): ?1000
Applications
UsesS-Enantiomer of Baclofen. Specific GABA-B receptor agonist. Muscle relaxant (skeletal).
Suppliers39 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
杭州东帆化学有限公司86-0571-85151182
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海湄水化工科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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