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Calcium 3-Acetamidopropane-1-Sulfonate
[CAS# 77337-76-9]

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Identification
Name Calcium 3-Acetamidopropane-1-Sulfonate
Synonyms 1-Propanesulfonic Acid, 3-(Acetylamino)-, Calcium Salt (2:1); Acamprosate Calcium; Acamprosate Calcium [Usan]
Molecular Structure CAS#: 77337-76-9, Calcium 3-Acetamidopropane-1-Sulfonate
Molecular Formula C10H20CaN2O8S2
Molecular Weight 400.48
CAS Registry Number 77337-76-9
EINECS 278-667-4
SMILES C([S]([O-])(=O)=O)CCNC(=O)C.C([S]([O-])(=O)=O)CCNC(=O)C.[Ca++]
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
Properties
solubility Soluble to 100 mM in water
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