Montelukast racemate
Impurity
This molecule is a impurity of Montelukast.
Technical Data
New Cat. No.ANTPRD8541
Old Cat. No.ANT-MTK-011
CASNA
Mol. FormulaC47H59ClN2O3S
Mol. Weight767.5 g/mol
IUPAC2-[1-[[1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid;N-cyclohexylcyclohexanamine
SMILESO=C(O)CC1(CSC(C2=CC=CC(/C=C/C3=NC4=CC(Cl)=CC=C4C=C3)=C2)CCC5=CC=CC=C5C(C)(O)C)CC1.C6(NC7CCCCC7)CCCCC6
InChIInChI=1S/C35H36ClNO3S.C12H23N/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);11-13H,1-10H2/b15-10+;
InChI KeyZLOLVGQQYDQBMP-GYVLLFFHSA-N
Description
Overview
Montelukast racemate, Montelukast, NA, 2-[1-[[1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid;N-cyclohexylcyclohexanamine
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Synonyms
NA2-(1-{[(1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid; N-cyclohexylcyclohexanamine2649087-59-0C47H59ClN2O3SMontelukast Impurity 48SCHEMBL3768888MFCD23160308EBC-180673Montelukast Impurity 52 DicyclohexylamineEN300-226822
