Montelukast Sulfoxide (Mixture of diastereomers)


Chemical Name: Montelukast Sulfoxide (Mixture of diastereomers)
CAS Number: 909849-96-3
Product Number: AG006SHK(AGN-PC-0WAE6E)
Synonyms:
MDL No:
Molecular Formula: C35H36ClNO4S
Molecular Weight: 602.1826

Identification/Properties


Properties
MP:
95-97°C
Storage:
-10 ℃;Inert atmosphere;Light sensitive;
Computed Properties
Molecular Weight:
602.186g/mol
XLogP3:
6.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
12
Exact Mass:
601.205g/mol
Monoisotopic Mass:
601.205g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
42
Formal Charge:
0
Complexity:
967
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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