IUPAC name
4-amino-3-(4-chlorophenyl)butanoic acid
SMILES
NCC(CC(O)=O)C1=CC=C(Cl)C=C1
Compound class
Muscle Relaxants, Central; Neuromuscular Agents; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; GABA-B Receptor Agonists;
Therapeutic area
For the alleviation of signs and symptoms of spasticity resulting from multiple sclerosis, particularly for the relief of flexor spasms and concomitant pain, clonus, and muscular rigidity.
Common name
Baclofen
IUPAC name
4-amino-3-(4-chlorophenyl)butanoic acid
SMILES
NCC(CC(O)=O)C1=CC=C(Cl)C=C1
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)
FORMULA
C10H12ClNO2
Common name
Baclofen
IUPAC name
4-amino-3-(4-chlorophenyl)butanoic acid
Molecular weight
213.661
clogP
1.873
clogS
-2.288
HBond Acceptor
2
HBond Donor
3
Total Polar Surface Area
63.32
Number of Rings
1
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00205 | 1-chloro-4-methyl-benzene |
|
Cc1ccc(cc1)Cl | 0.0113 |
| FDBF00206 | 3-(4-chlorophenyl)propanoic acid |
|
C(CC(=O)O)c1ccc(cc1)Cl | 0.0003 |
| FDBF00207 | 2-(4-chlorophenyl)ethanamine |
|
C(c1ccc(cc1)Cl)CN | 0.0003 |
7 ,
1
