Products 186352-97-6

CAS 186352-97-6 appears in our catalog under these names: Montelukast 1,2-Diol, Montelukast 1,2-Diol (Mixture of Diastereomers). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 10mg, 1mg.

Montelukast 1,2-Diol
Chemat Brand
  • size: on request
  • Variants: 2
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Montelukast 1,2-Diol (Mixture of Diastereomers)
TRC
  • size: 10mg, 1mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1,2-dihydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid (CAS 186352-97-6) is a chemical compound with the molecular formula C35H36ClNO4S and a molecular weight of 602.2 g/mol. IUPAC name: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1,2-dihydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid. InChIKey: UFQIEVSCRCMNLW-SHISVWIYSA-N.

Identity
Molecular formulaC35H36ClNO4S
Molecular weight602.2 g/mol
IUPAC name2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1,2-dihydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
InChIKeyUFQIEVSCRCMNLW-SHISVWIYSA-N
SMILESCC(CO)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]-2-hydroxyacetic acid C35H36ClNO4S
2-[1-[[(1R,3S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-hydroxy-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid C35H36ClNO4S
2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfinylmethyl]cyclopropyl]acetic acid C35H36ClNO4S
2-[1-[[(1R)-1-[3-[(Z)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfinylmethyl]cyclopropyl]acetic acid C35H36ClNO4S
2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid C35H36ClNO4S