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Product Code
TRC-M568020
CAS Number
Product Format
Neat
Molecular Formula
C35 H36 Cl N O4 S
Molecular Weight
602.18
API Family
MontelukastProduct Categories
Impurity Reference Materials , TRC, Additional Covid-19 Research materials
Alternate CAS Number
Purity
>95% (HPLC)
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Analyte Name
Montelukast Sulfoxide
CAS Number
1152185-58-4
Molecular Formula
C35 H36 Cl N O4 S
Molecular Weight
602.18
Accurate Mass
601.2054
SMILES
CC(C)(O)c1ccccc1CC[C@H](c2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)S(=O)CC5(CC(=O)O)CC5
InChI
InChI=1S/C35H36ClNO4S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(42(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/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-,42?/m1/s1
IUPAC
2-[1-[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfinylmethyl]cyclopropyl]acetic acid
Alternate CAS Number
909849-96-3
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; Impurity
Product Format
Neat
API Family
Purity
>95% (HPLC)
Montelukast Sulfoxide (Montelukast EP Impurity C; Montelukast USP Related Compound A; Montelukast Sulfoxid) is a metabolite of Montelukast.
References: Madan, A., et al.: Biochem. Pharmacol., 46, 2291 (1993), Blake, B.L., et al.: Xenobiotica, 25, 377 (1995), LaBelle, M., et al.: Bioorg. Med. Chem. Lett., 5, 283 (1995), Chiba, M., et al.: Drug Metab. Dispos., 24, 307 (1996),
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