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

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Identification
Classification Natural product >> Alkaloid
Name 2,3-Dimethoxy-Strychnidin-10-One Hydrate (1:2)
Molecular Structure CAS#: 145428-94-0, 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 
Market Analysis Reports
List of Reports Available for 2,3-Dimethoxy-Strychnidin-10-One Hydrate (1:2)
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