2,3-Dimethoxy-Strychnidin-10-One Hydrate (1:2)
[CAS# 145428-94-0]

Identification

• Classification: Natural product >> Alkaloid
• Name: 2,3-Dimethoxy-Strychnidin-10-One Hydrate (1:2)
• Molecular Formula: C₂₃H₂₇N₂O₄
• Molecular Weight: 395.48
• CAS Registry Number: 145428-94-0
• SMILES: [C@@H]24N7C1=CC(=C(OC)C=C1[C@]23[C@H]6[NH+](CC3)CC5=CCO[C@H]([C@@H]4[C@H]5C6)CC7=O)OC
• InChI: 1S/C23H26N2O4/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/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/p+1/t13-,18-,19-,21-,22-,23+/m0/s1
• InChIKey: RRKTZKIUPZVBMF-IBTVXLQLSA-O

Properties

• Boiling point: 633.738°C at 760 mmHg (Cal.)
• Flash point: 337.073°C (Cal.)

References

• (1): G. Smith, U. D. Wermuth and J. M. White. 2,3-Dimethoxy-10-oxostrychnidinium 2-carboxy-4,5-dichlorobenzoate, Acta Cryst. (2007). E63, o4276-o4277