Brucine, 99%, anhydrous, Thermo Scientific Chemicals

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

• CAS: 357-57-3
• Molecular Formula: C₂₃H₂₆N₂O₄
• Molecular Weight (g/mol): 394.46
• MDL Number: MFCD00005942
• InChI Key: RRKTZKIUPZVBMF-VLTSECPOSA-N
• Synonym: brucine, anhydrous, brucine:strychnidin-10-one,2,3-dimethoxy
• PubChem CID: 51413923
• IUPAC Name: (4aR,5aS,8aR,13aS,15aR,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one
• SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC

• Melting Point: 174.0°C to 179.0°C
• Color: White to Beige
• Loss on Drying: 1% max. (105°C, 3 hrs)
• Infrared Spectrum: Authentic
• Assay Percent Range: 99%
• Packaging: Glass bottle
• Quantity: 5 g
• Beilstein: 27, IV, 7876
• Merck Index: 15, 1464
• Specific Rotation Condition: −123° (20°C c=2.5,CCl₃)
• Specific Rotation: − 123.00
• Solubility Information: Solubility in water: slightly soluble. Other solubilities: soluble in alcohol, chloroform and benzene, slightly soluble in ether, glycerol and, ethyl acetate
• Formula Weight: 394.46
• Percent Purity: 99%
• Physical Form: Crystalline Powder
• Chemical Name or Material: Brucine, Anhydrous

RUO – Research Use Only