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909849-96-3,MFCD09841063
Catalog No.:AA006SES

909849-96-3 | Montelukast Sulfoxide(Mixture of Diastereomers)

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Technical Information
Catalog Number:
AA006SES
Chemical Name:
Montelukast Sulfoxide(Mixture of Diastereomers)
CAS Number:
909849-96-3
Molecular Formula:
C35H36ClNO4S
Molecular Weight:
602.1826
MDL Number:
MFCD09841063
SMILES:
OC(=O)CC1(CC1)CS(=O)C(c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)CCc1ccccc1C(O)(C)C
Properties
Properties
 
MP:
95-97°C  
Storage:
-20 ℃;Inert atmosphere;Light sensitive;  

Computed Properties
 
Complexity:
967  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
12  
Undefined Atom Stereocenter Count:
2  
XLogP3:
6.3  

Literature
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SDS
Tags:909849-96-3 Molecular Formula|909849-96-3 MDL|909849-96-3 SMILES|909849-96-3 Montelukast Sulfoxide(Mixture of Diastereomers)