(S)-Baclofen
Properties
- Molecular formula
- C10H12ClNO2
- Molar mass
- 213.66 g/mol
- Exact mass
- 213.0557 Da
- logP
- 1.86Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 4
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P316, P321, P330, P405, P501
Identifiers
CAS number
66514-99-6SMILES
C1=CC(=CC=C1[C@H](CC(=O)O)CN)ClInChIKey
KPYSYYIEGFHWSV-MRVPVSSYSA-NInChI
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-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- S(+)-Baclofen
Work with (S)-Baclofen
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3-(4-Chlorophenyl) glutarate35271-74-079 % similar
Phenibut1078-21-369 % similar
(R)-4-Amino-3-phenylbutanoic acid35568-36-669 % similar
(S)-4-Amino-3-phenylbutanoic acid62596-63-869 % similar
(R)-4-Amino-3-P-tolylbutanoic acid67112-56-568 % similar
(S)-4-Amino-3-P-tolylbutanoic acid67112-57-668 % similar
(R)-4-Amino-3-(4-fluorophenyl)butanoic acid741217-33-468 % similar
(S)-4-Amino-3-(4-fluorophenyl)butanoic acid747371-90-068 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.