(R,R)-Montelukast Bis-sulfide


CAS No. : 1187586-61-3

(R,R)-Montelukast Bis-sulfide,1187586-61-3
Product Details
Cat No:R033189
Synonyms:1-[[[(1R)-1-[3-[(1R)-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
Molecular Formula:C41H46ClNO5S2
Molecular Weight:732.391
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Cat No:R033189
Cas No:1187586-61-3
Product-Name:(R,R)-Montelukast Bis-sulfide
IUPAC Name:2-[1-[[(1R)-1-[3-[(1S)-1-[[1-(carboxymethyl)cyclopropyl]methylsulfanyl]-2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
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
InChIKey:SJNODSMYYCYZTO-XDSPJLLDSA-N
SMILES:CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C(CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)SCC6(CC6)CC(=O)O)O
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