Analyte Name

2-Methoxymethyl Montelukast 1,2-Diol(Mixture of Diastereomers)

CAS Number

184764-27-0

Molecular Formula

C37H40ClNO5S

Molecular Weight

646.24

Accurate Mass

645.2316

SMILES

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

InChI

InChI=1S/C37H40ClNO5S/c1-36(42,23-44-25-43-2)32-9-4-3-7-27(32)13-17-34(45-24-37(18-19-37)22-35(40)41)29-8-5-6-26(20-29)10-15-31-16-12-28-11-14-30(38)21-33(28)39-31/h3-12,14-16,20-21,34,42H,13,17-19,22-25H2,1-2H3,(H,40,41)/b15-10+/t34-,36?/m1/s1

IUPAC

2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-[2-hydroxy-1-(methoxymethoxy)propan-2-yl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat