1-((((1R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-(4-HYDROXY-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	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1-((((1R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-(4-HYDROXY-2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETIC ACID

Structure Search

SMILES

CC(C)(O)C1=C(CC[C@@H](SCC2(CC(O)=O)CC2)C3=CC(\C=C\C4=NC5=CC(Cl)=CC=C5C=C4)=CC=C3)C=CC(O)=C1

InChI

InChIKey=OUCJSWWLSUSPOP-OZBDQGCQSA-N

InChI=1S/C35H36ClNO4S/c1-34(2,41)30-20-29(38)14-9-24(30)10-15-32(42-22-35(16-17-35)21-33(39)40)26-5-3-4-23(18-26)6-12-28-13-8-25-7-11-27(36)19-31(25)37-28/h3-9,11-14,18-20,32,38,41H,10,15-17,21-22H2,1-2H3,(H,39,40)/b12-6+/t32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H36ClNO4S
Molecular Weight	602.183
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:57:26 UTC 2023` Edited by `admin` on `Sat Dec 16 01:57:26 UTC 2023`
Record UNII	P1WK0EP5ZD
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-((((1R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-(4-HYDROXY-2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETIC ACID

Systematic Name

English

MONTELUKAST METABOLITE M3

Common Name

English

CYCLOPROPANEACETIC ACID, 1-(((1-(3-(2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-(4-HYDROXY-2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)-, (R-(E))-

Common Name

English

CYCLOPROPANEACETIC ACID, 1-((((1R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-(4-HYDROXY-2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)-

Common Name

English

Code System Code Type Description

CAS

200804-28-0

Created by admin on Sat Dec 16 01:57:26 UTC 2023 , Edited by admin on Sat Dec 16 01:57:26 UTC 2023

PRIMARY

PUBCHEM

71587626

Created by admin on Sat Dec 16 01:57:26 UTC 2023 , Edited by admin on Sat Dec 16 01:57:26 UTC 2023

PRIMARY

FDA UNII

P1WK0EP5ZD

Created by admin on Sat Dec 16 01:57:26 UTC 2023 , Edited by admin on Sat Dec 16 01:57:26 UTC 2023

PRIMARY