Docusate Calcium
[CAS# 128-49-4]

Identification

• Name: Docusate Calcium
• Synonyms: Calcium 1,4-Bis(2-Ethylhexoxy)-1,4-Dioxo-Butane-2-Sulfonate; Calcium 1,4-Bis(2-Ethylhexoxy)-1,4-Diketo-Butane-2-Sulfonate; Docusate Calcium (Usp)
• Molecular Formula: C₄₀H₇₄CaO₁₄S₂
• Molecular Weight: 883.22
• CAS Registry Number: 128-49-4
• EINECS: 204-889-8
• SMILES: C(C([S]([O-])(=O)=O)C(OCC(CCCC)CC)=O)C(OCC(CCCC)CC)=O.C(C([S]([O-])(=O)=O)C(OCC(CCCC)CC)=O)C(OCC(CCCC)CC)=O.[Ca++]
• InChI: 1S/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2
• InChIKey: DWKPZOZZBLWFJX-UHFFFAOYSA-L