Products 188717-17-1

CAS 188717-17-1 is the registry number for Montelukast acyl-b-D-glucuronide acetic acid salt. Offered by: Biosynth. Available pack sizes: 2mg, 1mg, 5mg, 10mg.

Montelukast acyl-b-D-glucuronide acetic acid salt
Biosynth
  • size: 2mg, 1mg, 5mg, 10mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 188717-17-1) is a chemical compound with the molecular formula C41H44ClNO9S and a molecular weight of 762.3 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: SXJRVQZUUOADNS-IIHPLMAZSA-N.

Identity
Molecular formulaC41H44ClNO9S
Molecular weight762.3 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeySXJRVQZUUOADNS-IIHPLMAZSA-N
SMILESCC(C)(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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Montelukast acyl-b-D-glucuronide, Montelukast metabolite M1, Montelukast Acyl-b-D-glucuronide Acetic Acid Salt