Montelukast for peak identification CRS
Product Code
EPY0001435
CAS Number
Product Format
Mixture
Molecular Formula
C35 H35 Cl N O3 S . Na
Molecular Weight
608.17
API Family
Montelukast SodiumProduct Categories
Product Type
OtherAlternate CAS Number
Price and availability
Documentation
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Product Information
Product Data
Analyte Name
Montelukast Sodium
CAS Number
151767-02-1
Molecular Formula
C35 H35 Cl N O3 S . Na
Molecular Weight
608.17
Accurate Mass
607.1924
Flash Point
5.0
SMILES
[Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)[O-])CC2)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3
InChI
InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(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, /q, /t32-, /h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39), /m1./s1, +1/p-1/b15-10+
IUPAC
sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
Alternate CAS Number
Free acid: 158966-92-8
Storage & Transport Information
Storage Temperature
2-8C Fridge/Coldroom
Shipping Temperature
Room Temperature
Country of Origin
FRANCE
Product Attributes
Product Type
Other
Product Format
Mixture
API Family
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