chempirical

(-)-Baclofen

C10H12ClNO2CAS 69308-37-8213.66 g/mol

Open in Covalent MOL file
H2NOHOCl
AlcoholCarboxylic AcidHalogenPrimary Amine

Properties

Molecular formula
C10H12ClNO2
Molar mass
213.66 g/mol
Exact mass
213.0557 Da
Melting point
188–189 °C
logP
1.86Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
69308-37-8
SMILES
NC[C@H](CC(=O)O)c1ccc(Cl)cc1
InChIKey
KPYSYYIEGFHWSV-QMMMGPOBSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • Benzenepropanoic acid, β-(aminomethyl)-4-chloro-, (βR)-
  • Benzenepropanoic acid, β-(aminomethyl)-4-chloro-, (R)-
  • (βR)-β-(Aminomethyl)-4-chlorobenzenepropanoic acid
  • l-Baclofen
  • (R)-Baclofen
  • (R)-(-)-Baclofen
  • (R)-4-Amino-3-(4-chlorophenyl)butanoic acid
  • D-Baclofen
  • R-(-)-Baclofen
  • (R)-4-Amino-3-(4-chlorophenyl)butyric acid
  • Arbaclofen
  • STX 209
  • AGI 006
  • (3R)-4-Amino-3-(4-chlorophenyl)butanoic acid

Work with (-)-Baclofen

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

Chlorpropham101-21-3 Baclofen1134-47-0 (βS)-β-Amino-2-chlorobenzenebutanoic acid270596-36-6 (βS)-β-Amino-4-chlorobenzenebutanoic acid270596-41-3 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrochloride (1:1)41994-51-8

Elsewhere

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