Montelukast-d6 Bis-sulfide (mixture of diastereomers)

CAS: 1242260-05-4

Ref. TR-M567987

Product Information

• Name: Montelukast-d6 Bis-sulfide (mixture of diastereomers)
• Synonyms: 1-[[[(1R)-1-[3-[(1R,S)-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-d6, Montelukast Michael Aduct-d6
• Brand: TRC
• Description: Applications Montelukast-d6 Bis-sulfide is a labeled analogue of Montelukast Bis-sulfide (M567985), a Montelukast impurity.

Chemical properties

• Molecular weight: 738.428
• Formula: C₄₁D₆H₄₀ClNO₅S₂
• Color/Form: Neat
• InChI: InChI=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/i1D3,2D3
• InChI key: InChIKey=SJNODSMYYCYZTO-MOPYWCKFSA-N
• SMILES: [2H]C([2H])([2H])C(O)(c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(C(Cc2ccc3ccc(Cl)cc3n2)SCC2(CC(=O)O)CC2)c1)C([2H])([2H])[2H]