BELLADONNINE BIS(ETHOBROMIDE)

5908-90-7

MFCD01677514

C38 H52 N2 O4 . 2 Br

760.647

InChI=1S/C38H52N2O4.2BrH/c1-5-39(3)27-16-17-28(39)23-31(22-27)43-36(41)34-20-21-38(26-12-8-7-9-13-26,35-15-11-10-14-33(34)35)37(42)44-32-24-29-18-19-30(25-32)40(29,4)6-2;;/h7-15,27-32,34H,5-6,16-25H2,1-4H3;2*1H/q+2;;/p-2/t27-,28+,29-,30+,31+,32+,34?,38?,39?,40?;;

InChIKey=LSGZDWDVTHECJK-ASWFEVOCSA-L

CC[N+]1([C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C3CCC(c4c3cccc4)(c5ccccc5)C(=O)O[C@H]6C[C@H]7CC[C@@H](C6)[N+]7(C)CC)C.[Br-].[Br-]

H bond donor:0

H bond acceptor:6

XLogP3:8.0

Bulk/Fine:F