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

Details

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

SHOW SMILES / InChI

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

Structure Search

SMILES

CC(O)(CO)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=C1

InChI

InChIKey=UFQIEVSCRCMNLW-SHISVWIYSA-N

InChI=1S/C35H36ClNO4S/c1-34(41,22-38)30-8-3-2-6-25(30)12-16-32(42-23-35(17-18-35)21-33(39)40)27-7-4-5-24(19-27)9-14-29-15-11-26-10-13-28(36)20-31(26)37-29/h2-11,13-15,19-20,32,38,41H,12,16-18,21-23H2,1H3,(H,39,40)/b14-9+/t32-,34?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H36ClNO4S
Molecular Weight	602.183
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:33:10 UTC 2023` Edited by `admin` on `Sat Dec 16 07:33:10 UTC 2023`
Record UNII	PV596370Q4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

MONTELUKAST METABOLITE M6

Common Name

English

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

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00171880

Created by admin on Sat Dec 16 07:33:10 UTC 2023 , Edited by admin on Sat Dec 16 07:33:10 UTC 2023

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CAS

186352-97-6

Created by admin on Sat Dec 16 07:33:10 UTC 2023 , Edited by admin on Sat Dec 16 07:33:10 UTC 2023

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FDA UNII

PV596370Q4

Created by admin on Sat Dec 16 07:33:10 UTC 2023 , Edited by admin on Sat Dec 16 07:33:10 UTC 2023

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PUBCHEM

9960377

Created by admin on Sat Dec 16 07:33:10 UTC 2023 , Edited by admin on Sat Dec 16 07:33:10 UTC 2023

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