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

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

Structure Search

SMILES

CC(C)(O)C1=C(CC[C@@H](SCC2(CC2)C(O)=O)C3=CC(=CC=C3)[C@H](CC4=NC5=C(C=CC(Cl)=C5)C=C4)SCC6(CC(O)=O)CC6)C=CC=C1

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

Molecular Formula	C40H44ClNO5S2
Molecular Weight	718.364
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:56:00 GMT 2025` Edited by `admin` on `Mon Mar 31 22:56:00 GMT 2025`
Record UNII	3ZL34OH94C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MONTELUKAST MICHAEL ADDUCT R,S-ISOMER

Preferred Name

English

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 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 Mon Mar 31 22:56:00 GMT 2025 , Edited by admin on Mon Mar 31 22:56:00 GMT 2025

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PUBCHEM

76967637

Created by admin on Mon Mar 31 22:56:00 GMT 2025 , Edited by admin on Mon Mar 31 22:56:00 GMT 2025

PRIMARY

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