MONTELUKAST DICYCLOHEXYLAMINE SALT

577953-88-9

MFCD23160308

C35 H36 Cl N O3 S . C12 H23 N

767.513

InChI=1S/C35H36ClNO3S.C12H23N/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);11-13H,1-10H2/b15-10+;/t32-;/m1./s1

InChIKey=ZLOLVGQQYDQBMP-HKHDRNBDSA-N

CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O.C1CCC(CC1)NC2CCCCC2

pro_donors:2

pro_acceptors:4

XLogP3:9.0

Bulk/Fine:F