Preferred Name |
acamprosate |
|
Synonyms |
3-acetamidopropane-1-sulfonic acid acamprosatum acamprosate 3-Acetamido-1-propanesulfonic acid N-Acetylhomotaurine acamprosato |
|
Definitions |
An organosulfonic acid that is propane-1-sulfonic acid substituted by an acetylamino group at position 3. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_51041 |
|
charge |
0 |
|
database_cross_reference |
KEGG:D07058 Wikipedia:Acamprosate Reaxys:9618349 CAS:77337-76-9 Drug_Central:38 DrugBank:DB00659 |
|
definition |
An organosulfonic acid that is propane-1-sulfonic acid substituted by an acetylamino group at position 3. |
|
formula |
C5H11NO4S |
|
has exact synonym |
3-acetamidopropane-1-sulfonic acid |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_35703 |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
acamprosatum acamprosate 3-Acetamido-1-propanesulfonic acid N-Acetylhomotaurine acamprosato |
|
id |
CHEBI:51041 |
|
in_subset | ||
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) |
|
inchikey |
AFCGFAGUEYAMAO-UHFFFAOYSA-N |
|
label |
acamprosate |
|
mass |
181.21118 |
|
monoisotopicmass |
181.04088 |
|
notation |
CHEBI:51041 |
|
prefLabel |
acamprosate |
|
smiles |
CC(=O)NCCCS(O)(=O)=O |
|
subClassOf |