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Montelukast Bis-sulfide (mixture of diastereomers)

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For Research Use Only | Not For Clinical Use
CATAPS1242260054
CAS1242260-05-4
Synonyms1-[[[(1R)-1-[3-[(1RS)-1-[[[1-(Carboxymethyl)cyclopropyl]methyl]sulfanyl]-2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfanyl]methyl]cyclopropyl]acetic Acid, Montekulast Sodium Imp. D+E (Mixture of Stereoisomers) (EP), 1-[[[(1R)-1-[3-[1-[[[1-(Carboxymethyl)cyclopropyl]methyl]thio]-2-(7-chloro-2-quinolinyl)ethyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic Acid
IUPAC Name2-[1-[[(1R)-1-[3-[1-[[1-(carboxymethyl)cyclopropyl]methylsulfanyl]-2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular Weight732.39
Molecular FormulaC41H46ClNO5S2
Canonical SMILESCC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)O)CC2)c3cccc(c3)C(Cc4ccc5ccc(Cl)cc5n4)SCC6(CC(=O)O)CC6
InChIInChI=1S/C41H46ClNO5S2/c1-39(2,48)33-9-4-3-6-27(33)12-15-35(49-25-40(16-17-40)23-37(44)45)29-7-5-8-30(20-29)36(50-26-41(18-19-41)24-38(46)47)22-32-14-11-28-10-13-31(42)21-34(28)43-32/h3-11,13-14,20-21,35-36,48H,12,15-19,22-26H2,1-2H3,(H,44,45)(H,46,47)/t35-,36?/m1/s1
Accurate Mass731.2506
FormatNeat
Product TypeImpurity
ShippingRoom Temperature
Size10MG
Storage Conditions2-8°C Fridge/Coldroom
SubcategoryImpurity standards
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