IUPAC name
3-acetamidopropane-1-sulfonic acid
SMILES
CC(=O)NCCCS(O)(=O)=O
Compound class
Alcohol Deterrents; Nervous System; Drugs Used in Addictive Disorders; Drugs Used in Alcohol Dependence;
Therapeutic area
For the maintenance of abstinence from alcohol in patients with alcohol dependence who are abstinent at treatment initiation.
Common name
Acamprosate
IUPAC name
3-acetamidopropane-1-sulfonic acid
SMILES
CC(=O)NCCCS(O)(=O)=O
INCHI
InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)
FORMULA
C5H11NO4S
Common name
Acamprosate
IUPAC name
3-acetamidopropane-1-sulfonic acid
Molecular weight
181.210
clogP
-0.919
clogS
-0.832
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
83.47
Number of Rings
0
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF00027 | N-methylacetamide |
|
N(C(=O)C)C | 0.0175 |
| FDBF00228 | N-ethylacetamide |
|
C(=O)(NCC)C | 0.0089 |
| FDBF01505 | methanesulfonic acid |
|
CS(=O)(=O)O | 0.0038 |
| FDBF01506 | ethanesulfonic acid |
|
CCS(=O)(=O)O | 0.0010 |
| FDBF01507 | propane-1-sulfonic acid |
|
CCCS(=O)(=O)O | 0.0003 |
| FDBF01508 | N-propylacetamide |
|
C(CC)NC(=O)C | 0.0014 |
8 ,
1
