Brucine Sulfate.
[CAS# 38741-38-7]

Identification

• Name: Brucine Sulfate.
• Synonyms: Nsc463; Strychnidin-10-One, 2,3-Dimethoxy-, Sulfate (2:1); 2,3-Dimethoxystrychnidin-10-One Sulfate (2:1)
• Molecular Formula: C₂₃H₂₈N₂O₈S
• Molecular Weight: 492.54
• CAS Registry Number: 38741-38-7
• SMILES: C236C1N(C(=O)CC5C1C4CC2N(CC3)CC4=CCO5)C7=C6C=C(C(=C7)OC)OC.O=[S](=O)(O)O
• InChI: 1S/C23H26N2O4.H2O4S/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4)
• InChIKey: JBQBSCWFZJGIQL-UHFFFAOYSA-N

Properties

• Boiling point: 633.7°C at 760 mmHg (Cal.)
• Flash point: 337.1°C (Cal.)