VINCAMINE 5-BROMONICOTINATE

58703-79-0

MFCD01729540

C21 H26 N2 O3 . C6 H4 Br N O2

556.454

InChI=1S/C21H26N2O3.C6H4BrNO2/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2;7-5-1-4(6(9)10)2-8-3-5/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3;1-3H,(H,9,10)/t18-,20+,21+;/m1./s1

InChIKey=SEFKORZDDBRVFX-YAFGAGFVSA-N

CC[C@@]12CCCN3[C@@H]1c4c(c5ccccc5n4[C@](C2)(C(=O)OC)O)CC3.c1c(cncc1Br)C(=O)O

H bond donor:1

H bond acceptor:5

XLogP3:3.0

Bulk/Fine:F