1187586-61-3

Name Montelukast Bis-sulfide (Mixture of Diastereomers)
CAS 1187586-61-3
Molecular Formula C41H46ClNO5S2
MDL Number MFCD21363698
Molecular Weight 732.39
MOL File 1187586-61-3.mol

Chemical Properties

Melting point  53-60°C
Boiling point  856.9±65.0 °C(Predicted)
density  1.302±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 4.76±0.10(Predicted)
color  Light Yellow to Yellow
InChIKey SJNODSMYYCYZTO-LQFQNGICSA-N
SMILES C1(CS[C@@H](C2=CC=CC([C@H](SCC3(CC(O)=O)CC3)CC3C=CC4C(N=3)=CC(Cl)=CC=4)=C2)CCC2=CC=CC=C2C(O)(C)C)(CC(O)=O)CC1

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