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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H44ClNO5S2
Molecular Weight 718.364
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((((R)-1-(3-((S)-1-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)THIO)-2-(7-CHLOROQUINOLIN-2-YL)ETHYL)PHENYL)-3-(2-(2-HYDROXYPROPAN-2-YL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANECARBOXYLIC ACID

SMILES

CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC2(CC2)C(O)=O)C3=CC=CC(=C3)[C@H](CC4=NC5=CC(Cl)=CC=C5C=C4)SCC6(CC(O)=O)CC6

InChI

InChIKey=AKJXJILNGDPWRI-GPOMZPHUSA-N
InChI=1S/C40H44ClNO5S2/c1-38(2,47)32-9-4-3-6-26(32)12-15-34(49-25-40(18-19-40)37(45)46)28-7-5-8-29(20-28)35(48-24-39(16-17-39)23-36(43)44)22-31-14-11-27-10-13-30(41)21-33(27)42-31/h3-11,13-14,20-21,34-35,47H,12,15-19,22-25H2,1-2H3,(H,43,44)(H,45,46)/t34-,35+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1-((((R)-1-(3-((S)-1-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)THIO)-2-(7-CHLOROQUINOLIN-2-YL)ETHYL)PHENYL)-3-(2-(2-HYDROXYPROPAN-2-YL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANECARBOXYLIC ACID
Common Name English
MONTELUKAST MICHAEL ADDUCT R,S-ISOMER
Common Name English
MONTELUKAST SODIUM IMPURITY, MICHAEL ADDUCTS 2- [USP IMPURITY]
Common Name English
MONTELUKAST SODIUM IMPURITY E [EP IMPURITY]
Common Name English
1-((((1R)-1-(3-((1S)-1-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)SULFANYL)-2-(7-CHLOROQUINOLIN-2-YL)ETHYL)PHENYL)-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)SULFANYL)METHYL)CYCLOPROPYL)ACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
3ZL34OH94C
Created by admin on Sat Dec 16 09:57:54 GMT 2023 , Edited by admin on Sat Dec 16 09:57:54 GMT 2023
PRIMARY
PUBCHEM
76967637
Created by admin on Sat Dec 16 09:57:54 GMT 2023 , Edited by admin on Sat Dec 16 09:57:54 GMT 2023
PRIMARY