2,3-Dimethoxystrychnidin-10-One Nitrate (1:1)
[CAS# 5786-97-0]

Identification

• Name: 2,3-Dimethoxystrychnidin-10-One Nitrate (1:1)
• Synonyms: brucine nitrate
• Molecular Formula: C₂₃H₂₇N₃O₇
• Molecular Weight: 457.48
• CAS Registry Number: 5786-97-0
• EINECS: 227-317-9
• SMILES: [O-][N+](O)=O.COc1cc2c(cc1OC)N5C(=O)C[C@@H]4OCC=C3CN7CC[C@]26[C@@H]7C[C@@H]3[C@@H]4[C@H]56
• InChI: 1S/C23H26N2O4.HNO3/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;2-1(3)4/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H,2,3,4)/t13-,18-,19-,21-,22-,23+;/m0./s1
• InChIKey: FAUPZRZWQZAAOB-SUJBTXFYSA-N

Properties

• Boiling point: 702.5°C at 760 mmHg (Cal.)
• Flash point: 378.6°C (Cal.)