Brucine sulfate heptahydrate

Base Information

• Chemical Name: Brucine sulfate heptahydrate
• CAS No.: 60583-39-3
• Molecular Formula: C46H68N4O19S
• Molecular Weight: 1013.11
• Hs Code.: 29399900
• European Community (EC) Number: 629-252-5
• NCI Thesaurus Code: C87456
• RXCUI: 1311058
• Mol file: 60583-39-3.mol

Synonyms:Strychnidin-10-one, 2,3-dimethoxy-, sulfate (1:1), heptahydrate;2,3-Dimethoxystrychnidin-10-one sulfate (1:1) heptahydrate;

Chemical Property of Brucine sulfate heptahydrate

Chemical Property:

• Appearance/Colour: white solid
• Melting Point: 180 °C
• Boiling Point: 633.7 °C at 760 mmHg
• Flash Point: 337.1 °C
• PSA: 198.83000
• LogP: 2.09050
• Storage Temp.: Poison room
• Water Solubility.: Soluble in hot water.
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 2
• Exact Mass: 618.23058981
• Heavy Atom Count: 41
• Complexity: 866

Purity/Quality:

98%,99%, ^*data from raw suppliers

Brucine sulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/28-52/53
• Safety Statements: 13-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Biological Agents -> Plant Toxins
• Canonical SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.O.O.O.O.O.O.O.OS(=O)(=O)O
• Isomeric SMILES: COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.O.O.O.O.O.O.O.OS(=O)(=O)O
• Uses: As Resolving agent. Used in the Determination of nitrate. Used in Pharmaceutical and food industry.