Montelukast Acyl-beta-D-glucuronide
Product Code
TRC-M568095-25MG
Product Format
Neat
Molecular Formula
C40 H42 Cl N O9 S
Molecular Weight
748.281
Product Categories
Product Information
Chemical Data
Analyte Name
Montelukast Acyl-beta-D-glucuronide
Molecular Formula
C40 H42 Cl N O9 S
Molecular Weight
748.281
Accurate Mass
747.227
SMILES
CC(C)(O[C@@H]1O[C@@H]([C@@H](O)C(O)C1O)C(=O)O)c2ccccc2CC[C@@H](SC(C3CC3)C(=O)O)c4cccc(\C=C\c5ccc6ccc(Cl)cc6n5)c4
InChI
InChI=1S/C40H42ClNO9S/c1-40(2,51-39-34(45)32(43)33(44)35(50-39)37(46)47)29-9-4-3-7-23(29)15-19-31(52-36(38(48)49)25-11-12-25)26-8-5-6-22(20-26)10-17-28-18-14-24-13-16-27(41)21-30(24)42-28/h3-10,13-14,16-18,20-21,25,31-36,39,43-45H,11-12,15,19H2,1-2H3,(H,46,47)(H,48,49)/b17-10+/t31-,32?,33+,34?,35+,36?,39+/m1/s1
IUPAC
(2S,3S,6S)-6-[2-[2-[(3R)-3-[carboxy(cyclopropyl)methyl]sulfanyl-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-yloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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