STRYCHNINE HYDROCHLORIDE, DIHYDRATE

6101-04-8

MFCD00167111

C21 H22 N2 O2 . Cl H . 2 H2 O

406.907

InChI=1S/C21H22N2O2.ClH.2H2O/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;;;/h1-5,13,16-17,19-20H,6-11H2;1H;2*1H2/t13-,16+,17-,19-,20-,21+;;;/m0.../s1

InChIKey=NSSXBGCPBCLAMH-OXACNGIESA-N

c1ccc2c(c1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@H]7OCC=C6C5.O.O.Cl

pro_donors:0

pro_acceptors:4

XLogP3:1.0

Bulk/Fine:F