Scilliroside

Base Information

• Chemical Name: Scilliroside
• CAS No.: 507-60-8
• Deprecated CAS: 11017-26-8,35-98-3,1329-65-3,28932-86-7,1329-65-3,28932-86-7
• Molecular Formula: C32H44O12
• Molecular Weight: 620.76
• European Community (EC) Number: 208-077-4
• UNII: 2815004NHO
• DSSTox Substance ID: DTXSID5042374
• Nikkaji Number: J3.638B
• Wikipedia: Scilliroside
• Wikidata: Q7433895
• Metabolomics Workbench ID: 68981
• Mol file: 507-60-8.mol

Synonyms:scilliroside;silmurin

Chemical Property of Scilliroside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 168-170°
• Refractive Index: 1.621
• Boiling Point: 794.4 °C at 760 mmHg
• Flash Point: 252.3 °C
• PSA: 196.35000
• Density: 1.45 g/cm³
• LogP: 0.64270
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 620.28327683
• Heavy Atom Count: 44
• Complexity: 1280

Purity/Quality:

SCILLIROSIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 28
• Safety Statements: 36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(CC5)OC6C(C(C(C(O6)CO)O)O)O)C)O
• Isomeric SMILES: CC(=O)O[C@@H]1C[C@@]2([C@H](CC[C@]3([C@@]2(CC[C@@H]3C4=COC(=O)C=C4)O)C)[C@@]5(C1=C[C@H](CC5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O
• Description: Red squill (Urginea maritima) is a large onionlike plant that grows in coastal regions along the Mediterranean Sea and in the United States; it contains a variety of cardiac glycosides, including scilliroside. All parts of the plant contain scilliroside but it is most concentrated in the bulb. There is also a white squill whose bulbs are white. Red squill has long been known and used medicinally. The earliest reference to red squill is in the Ebers Papyrus as treatment for dropsy (heart failure). Use as treatment for cough, arthritis, general diuretic, and emetic has also been described. Medicinal use declined during the nineteenth century because foxglove (digitalis) was revealed to be safer and more efficacious in the treatment of heart failure. However, use of red squill as a folk medicinal remedy continues, and deaths and serious illness may occur. Red squill is one of the oldest rodenticides and has been in use since the thirteenth century. However, scilliroside has extremely poor palatability, and many rats learn to avoid the bait. Since 1989, rodenticides containing red squill are not approved for use in the United States.
• Uses: Rat poisonings containing scilliroside continue to be available and used worldwide. Technical-grade red squill powders can contain up to 28% scilliroside, and baits typically contain 0.01–0.07% of the toxicant.