1-((((1R,3R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-HYDROXY-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H36ClNO4S
Molecular Weight	602.183
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1-((((1R,3R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-HYDROXY-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETIC ACID

Structure Search

SMILES

CC(C)(O)C1=CC=CC=C1[C@H](O)C[C@@H](SCC2(CC(O)=O)CC2)C3=CC=CC(\C=C\C4=CC=C5C=CC(Cl)=CC5=N4)=C3

InChI

InChIKey=CHRNGXJVKOMERP-FPUIOERCSA-N

InChI=1S/C35H36ClNO4S/c1-34(2,41)29-9-4-3-8-28(29)31(38)20-32(42-22-35(16-17-35)21-33(39)40)25-7-5-6-23(18-25)10-14-27-15-12-24-11-13-26(36)19-30(24)37-27/h3-15,18-19,31-32,38,41H,16-17,20-22H2,1-2H3,(H,39,40)/b14-10+/t31-,32-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

1-((((1R,3R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-HYDROXY-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETIC ACID

Systematic Name

English

MONTELUKAST METABOLITE 5A

Preferred Name

English

CYCLOPROPANEACETIC ACID, 1-((((1R,3R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-HYDROXY-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)-

Systematic Name

English

Code System Code Type Description

CAS

184763-26-6

Created by admin on Wed Apr 02 05:03:09 GMT 2025 , Edited by admin on Wed Apr 02 05:03:09 GMT 2025

PRIMARY

FDA UNII

D554UP7RBJ

Created by admin on Wed Apr 02 05:03:09 GMT 2025 , Edited by admin on Wed Apr 02 05:03:09 GMT 2025

PRIMARY

PUBCHEM