SCOPOLAMINE NONYLMETHANSULFONATE

19032-53-2

MFCD01742945

C26 H40 N O4 . C H3 O4 S

541.702

InChI=1S/C26H40NO4.CH4O4S/c1-3-4-5-6-7-8-12-15-27(2)22-16-20(17-23(27)25-24(22)31-25)30-26(29)21(18-28)19-13-10-9-11-14-19;1-5-6(2,3)4/h9-11,13-14,20-25,28H,3-8,12,15-18H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t20-,21?,22-,23+,24-,25+,27?;

InChIKey=INLOIZVVZYDZCP-YKHIQRTCSA-M

CCCCCCCCC[N+]1([C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)c4ccccc4)C.COS(=O)(=O)[O-]

pro_donors:1

pro_acceptors:5

XLogP3:3.0

Bulk/Fine:F