Brucine N-Oxide Hydrate
[CAS# 17301-81-4]

Identification

• Name: Brucine N-Oxide Hydrate
• Synonyms: Strychnidin-10-One, 2,3-Dimethoxy-, 19-Oxide; Brucine, N-Oxide; Brucine, Oxide
• Molecular Formula: C₂₃H₂₆N₂O₅
• Molecular Weight: 410.47
• CAS Registry Number: 17301-81-4
• EINECS: 241-328-6
• SMILES: C1=C(C(=CC4=C1N3C(=O)CC2OCC=C7C6C2C3C45CC[N+](C5C6)([O-])C7)OC)OC
• InChI: 1S/C23H26N2O5/c1-28-16-8-14-15(9-17(16)29-2)24-20(26)10-18-21-13-7-19-23(14,22(21)24)4-5-25(19,27)11-12(13)3-6-30-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3
• InChIKey: HHHQMKWPZAYIAE-UHFFFAOYSA-N