Molecular Identity
Acamprosate
3-acetamidopropane-1-sulfonic acid
PubChem CID: 71158
Acamprosate is an organosulfonic acid that is propane-1-sulfonic acid substituted by an acetylamino group at position 3. It has a role as a xenobiotic, a neurotransmitter agent and an environmental contaminant. It is a member of acetamides and an organosulfonic acid.
2D Structure
Properties
C5H11NO4S
Molecular Formula
181.21
Molecular Weight
g/mol
181.0409
Exact Mass
Da
-1.2
XLogP
Drug-like (Lipinski: < 5)
91.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
215
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Acamprosate77337-76-93-acetamidopropane-1-sulfonic acidN-AcetylhomotaurineAcamprosatoAcamprosatum3-Acetamido-1-propanesulfonic acidAotalN4K14YGM3JN-acetyl homotaurine1-Propanesulfonic acid, 3-(acetylamino)-DTXSID3044259CHEBI:51041N-(3-sulfopropyl)ethanimidic acidacamprostate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Acamprosate
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