API0232568

Acamprosate Calcium

Acamprosate Calcium is used for alcohol dependence.

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Molecular Weight (g/mol)

400.5
Molecular Formula

C10H20CaN2O8S2
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
InChIKey

BUVGWDNTAWHSKI-UHFFFAOYSA-L
SMILES

CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]
IUPAC Name

calcium;3-acetamidopropane-1-sulfonate
Exact Mass (Da)

400.0286988
Monoisotopic Mass (Da)

400.0286988

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