25-Hydroxy montelukast

CAS

200804-28-0

Catalog Number

ACM200804280

Category

Other Products

Molecular Weight

602.18

Molecular Formula

C₃₅H₃₆ClNO₄S

MSDS COA Spec Sheet

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Specification

Synonyms

1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[4-hydroxy-2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic Acid;

IUPAC Name

2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid

Canonical SMILES

CC(C)(C1=C(C=CC(=C1)O)CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O

InChI Key

OUCJSWWLSUSPOP-OZBDQGCQSA-N

Boiling Point

792.639ºC at 760 mmHg

Flash Point

433.172ºC

Density

1.311g/cm³

Exact Mass

601.20500