MORPHINE-3,6-DIGLUCURONIDE TETRAHYDRATE

64947-41-7

MFCD00272644

C29 H35 N O15 . 4 H2 O

709.647

InChI=1S/C29H35NO15.4H2O/c1-30-7-6-29-10-3-5-13(42-28-20(36)16(32)18(34)23(45-28)26(39)40)24(29)43-21-12(4-2-9(14(21)29)8-11(10)30)41-27-19(35)15(31)17(33)22(44-27)25(37)38;;;;/h2-5,10-11,13,15-20,22-24,27-28,31-36H,6-8H2,1H3,(H,37,38)(H,39,40);4*1H2/t10-,11+,13-,15-,16-,17-,18-,19+,20+,22-,23-,24-,27+,28+,29-;;;;/m0..../s1

InChIKey=MBFGIGIMAFWSAX-KYKGEJIXSA-N

CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O.O.O.O.O

pro_donors:8

pro_acceptors:16

XLogP3:-7.0

Bulk/Fine:F