25-Hydroxy montelukast

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Catalog Number
ACM200804280
Product Name
25-Hydroxy montelukast
Structure
Structure
CAS
200804-28-0
Category
Heterocyclic Organic Compound
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
Molecular Weight
602.18
Molecular Formula
C35H36ClNO4S
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
H-Bond Acceptor
6
H-Bond Donor
3
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