Acamprosate CalciumProduct ingredient for Acamprosate

Name
Acamprosate Calcium
Drug (Active Moiety)
Acamprosate

Acamprosate, also known by the brand name Campral™, is a drug used for treating alcohol dependence. Acamprosate is thought to stabilize the chemical balance in the brain that would otherwise be disrupted by alcoholism, possibly by blocking glutaminergic N-methyl-D-aspartate receptors, while gamma-aminobutyric acid type A receptors are activated. Reports indicate that acamprosate only works with a combination of attending support groups and abstinence from alcohol. Certain serious side effects include allergic reactions, irregular heartbeats, and low or high blood pressure, while less serious side effects include headaches, insomnia, and impotence. Acamprosate should not be taken by people with kidney problems or allergies to the drug.

Accession Number
DBSALT000002
Structure
Thumb
Synonyms
Not Available
UNII
59375N1D0U
CAS Number
77337-73-6
Weight
Average: 400.482
Monoisotopic: 400.028698161
Chemical Formula
C10H20CaN2O8S2
InChI Key
BUVGWDNTAWHSKI-UHFFFAOYSA-L
InChI
InChI=1S/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2
IUPAC Name
calcium N-(3-sulfopropyl)ethanimidic acid N-(3-sulfonatopropyl)ethanecarboximidate
SMILES
[Ca++].CC(O)=NCCCS(O)(=O)=O.CC([O-])=NCCCS([O-])(=O)=O
External Links
PubChem Compound
155434
ChemSpider
136929
ChEBI
51042
ChEMBL
CHEMBL2068724
Predicted Properties
PropertyValueSource
Water Solubility1.97 mg/mLALOGPS
logP0.8ALOGPS
logP-2.3ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)-1.2ChemAxon
pKa (Strongest Basic)4.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area92.62 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity48.86 m3·mol-1ChemAxon
Polarizability16.5 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon