Montelukast Styrene

Analyte Name

Montelukast Styrene

CAS Number

918972-54-0

Molecular Formula

C35 H34 Cl N O2 S

Molecular Weight

568.17

Accurate Mass

567.1999

Flash Point

-20

SMILES

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

InChI

InChI=1S/C35H34ClNO2S/c1-24(2)31-9-4-3-7-26(31)13-17-33(40-23-35(18-19-35)22-34(38)39)28-8-5-6-25(20-28)10-15-30-16-12-27-11-14-29(36)21-32(27)37-30/h3-12,14-16,20-21,33H,1,13,17-19,22-23H2,2H3,(H,38,39)/b15-10+/t33-/m1/s1

IUPAC

2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(2-prop-1-en-2-ylphenyl)propyl]sulfanylmethyl]cyclopropyl]acetic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Tariff Code

29334990

Product Type

Impurity

Product Format

Neat

API Family

Montelukast Sodium; Montelukast