HIT ID: HIT212083464
Cas No: 77337-73-6
分子式: C10H20CaN2O8S2
分子量: 400.47
常用名: Acamprosate calcium
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: -5.425
IUPAC: calcium bis(3-acetamidopropane-1-sulfonate)
IUPAC: calcium bis(3-acetamidopropane-1-sulfonate)
SMILES: [Ca++].CC(=O)NCCCS([O-])(=O)=O.CC(=O)NCCCS([O-])(=O)=O
SMILES: [Ca++].CC(=O)NCCCS([O-])(=O)=O.CC(=O)NCCCS([O-])(=O)=O
InChI key: BUVGWDNTAWHSKI-UHFFFAOYSA-L