acamprosate   Click here for help

GtoPdb Ligand ID: 7106

Synonyms: Campral®
Approved drug
acamprosate is an approved drug (FDA (2004))
Compound class: Synthetic organic
Comment: Acamprosate is a NMDA glutamate receptor antagonist and a positive allosteric modulator of GABAA receptors.
Marketed formulations contain acamprosate calcium (PubChem CID 155434).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 95.34
Molecular weight 181.04
XLogP -0.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=NCCCS(=O)(=O)O)O
Isomeric SMILES CC(=NCCCS(=O)(=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)
InChI Key AFCGFAGUEYAMAO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2004))
IUPAC Name Click here for help
N-(3-sulfopropyl)ethanimidic acid
International Nonproprietary Names Click here for help
INN number INN
6473 acamprosate
Synonyms Click here for help
Campral®
Database Links Click here for help
CAS Registry No. 77337-76-9
ChEBI CHEBI:51041
ChEMBL Ligand CHEMBL1201293
DrugBank Ligand DB00659
DrugCentral Ligand 38
GtoPdb PubChem SID 178103683
PubChem CID 71158
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Wikipedia acamprosate