1-((((1R)-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	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-HYDROXY-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETIC ACID

Structure Search

SMILES

CC(C)(O)C1=CC=CC=C1C(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-JSKALVASSA-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

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 `Mon Mar 31 21:07:12 GMT 2025` Edited by `admin` on `Mon Mar 31 21:07:12 GMT 2025`
Record UNII	70RV86E50Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

1-((((1R)-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

Code System Code Type Description

CAS

679838-32-5

Created by admin on Mon Mar 31 21:07:12 GMT 2025 , Edited by admin on Mon Mar 31 21:07:12 GMT 2025

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EPA CompTox

DTXSID50218173

Created by admin on Mon Mar 31 21:07:12 GMT 2025 , Edited by admin on Mon Mar 31 21:07:12 GMT 2025

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FDA UNII

70RV86E50Q

Created by admin on Mon Mar 31 21:07:12 GMT 2025 , Edited by admin on Mon Mar 31 21:07:12 GMT 2025

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PUBCHEM

71587778

Created by admin on Mon Mar 31 21:07:12 GMT 2025 , Edited by admin on Mon Mar 31 21:07:12 GMT 2025

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