Analyte Name

Montelukast Dicyclohexylamine

CAS Number

577953-88-9

Molecular Formula

C35 H36 Cl N O3 S . C12 H23 N

Molecular Weight

767.50

Accurate Mass

766.3935

SMILES

CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)O)CC2)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3.C6CCC(CC6)NC7CCCCC7

InChI

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

IUPAC

2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid;N-cyclohexylcyclohexanamine

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

JAPAN

Product Format

Neat

API Family

Montelukast Sodium