CHEBI:51041 - acamprosate

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ChEBI Name acamprosate
ChEBI ID CHEBI:51041
Definition An organosulfonic acid that is propane-1-sulfonic acid substituted by an acetylamino group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C5H11NO4S
Net Charge 0
Average Mass 181.21118
Monoisotopic Mass 181.041
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
SMILES CC(=O)NCCCS(O)(=O)=O
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): neurotransmitter agent
A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): neurotransmitter agent
A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function.
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ChEBI Ontology
Outgoing acamprosate (CHEBI:51041) has role environmental contaminant (CHEBI:78298)
acamprosate (CHEBI:51041) has role neurotransmitter agent (CHEBI:35942)
acamprosate (CHEBI:51041) has role xenobiotic (CHEBI:35703)
acamprosate (CHEBI:51041) is a acetamides (CHEBI:22160)
acamprosate (CHEBI:51041) is a organosulfonic acid (CHEBI:33551)
IUPAC Name
3-acetamidopropane-1-sulfonic acid
INNs Sources
acamprosate ChEBI
acamprosato ChEBI
acamprosatum ChEBI
Synonyms Sources
3-Acetamido-1-propanesulfonic acid DrugBank
N-Acetylhomotaurine ChemIDplus
Database Links Databases
38 DrugCentral
Acamprosate Wikipedia
D07058 KEGG DRUG
DB00659 DrugBank
View more database links
Registry Numbers Types Sources
77337-76-9 CAS Registry Number ChemIDplus
9618349 Reaxys Registry Number Reaxys
Last Modified
22 February 2017
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag