Docusate calcium

Base Information

• Chemical Name: Docusate calcium
• CAS No.: 128-49-4
• Molecular Formula: C20H38 O7 S . 1/2 Ca
• Molecular Weight: 883.21516
• Hs Code.: 2917197055
• European Community (EC) Number: 204-889-8
• UNII: 6K7YS503HC
• DSSTox Substance ID: DTXSID2044212
• Nikkaji Number: J13.810J
• Wikidata: Q27265042
• NCI Thesaurus Code: C28999
• RXCUI: 82001
• ChEMBL ID: CHEMBL2106608
• Mol file: 128-49-4.mol

Synonyms:Aerosol OT;Colace;DEH Na SS;DEH-Na-SS;diethylhexyl sodium sulfosuccinate;Dioctyl Sulfosuccinate;Dioctyl Sulfosuccinate, Sodium;Dioctyl Sulfosuccinates;Dioctyl Sulfosuccinic Acid;Dioctyl Sulfosuccinic Acid, Ammonium Salt;Dioctyl Sulfosuccinic Acid, Barium Salt;Dioctyl Sulfosuccinic Acid, Calcium Salt;Dioctyl Sulfosuccinic Acid, Magnesium Salt;Dioctyl Sulfosuccinic Acid, Potassium Salt;Dioctyl Sulfosuccinic Acid, Sodium Salt;Dioctylsulfosuccinate;Dioctylsulphosuccinate, Sodium;Docusate;Docusate Calcium;Docusate Potassium;Docusate Sodium;DOSS;Sodium Bis(2-ethylhexyl)sulfosuccinate;Sodium Dioctyl Sulfosuccinate;Sodium Dioctylsulphosuccinate;Sodium Sulfosuccinate, Diethylhexyl;Sulfosuccinate, Diethylhexyl Sodium;Sulfosuccinate, Dioctyl;Sulfosuccinates, Dioctyl;Sulfosuccinic Acid bis(2-Ethylhexyl) Ester

Chemical Property of Docusate calcium

Chemical Property:

• Vapor Pressure: 0Pa at 20℃
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 236.36000
• Density: g/cm³
• LogP: 9.78060
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly)
• Water Solubility.: 6g/L at 20℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 34
• Exact Mass: 882.4145902
• Heavy Atom Count: 57
• Complexity: 526

Purity/Quality:

99.9% ^*data from raw suppliers

DocusateCalcium ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Ca+2]
• Recent ClinicalTrials: RELISTOR's Effects on Opioid-Induced Constipation
• Uses: Stool softener. Calcium salt of Docusate, used for the treatment of constipation, acting as a laxative or stool softener.
• Therapeutic Function: Stool softener