2-(1-((1-(3-((E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-3-(2-(2-HYDROXYPROPAN-2-YL)PHENYL)PROPYL)SULFANYLMETHYL)CYCLOPROPYL)ACETONITRILE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H35ClN2OS
Molecular Weight	567.183
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-(1-((1-(3-((E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-3-(2-(2-HYDROXYPROPAN-2-YL)PHENYL)PROPYL)SULFANYLMETHYL)CYCLOPROPYL)ACETONITRILE

Structure Search

SMILES

CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC2(CC#N)CC2)C3=CC(\C=C\C4=NC5=CC(Cl)=CC=C5C=C4)=CC=C3

InChI

InChIKey=LFNFSZSLPYLMBG-LDXVMNHOSA-N

InChI=1S/C35H35ClN2OS/c1-34(2,39)31-9-4-3-7-26(31)13-17-33(40-24-35(18-19-35)20-21-37)28-8-5-6-25(22-28)10-15-30-16-12-27-11-14-29(36)23-32(27)38-30/h3-12,14-16,22-23,33,39H,13,17-20,24H2,1-2H3/b15-10+/t33-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

2-(1-((1-(3-((E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-3-(2-(2-HYDROXYPROPAN-2-YL)PHENYL)PROPYL)SULFANYLMETHYL)CYCLOPROPYL)ACETONITRILE

Systematic Name

English

MOK-1 NITRILE

Common Name

English

MONTELUKAST NITRILE IMPURITY

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

YS7B2ZWL9Z

Created by admin on Sat Dec 16 18:07:51 GMT 2023 , Edited by admin on Sat Dec 16 18:07:51 GMT 2023

PRIMARY

PUBCHEM

16123405

Created by admin on Sat Dec 16 18:07:51 GMT 2023 , Edited by admin on Sat Dec 16 18:07:51 GMT 2023

PRIMARY

CAS

866923-62-8

Created by admin on Sat Dec 16 18:07:51 GMT 2023 , Edited by admin on Sat Dec 16 18:07:51 GMT 2023

PRIMARY

SUBSTANCE RECORD


					YS7B2ZWL9Z

2-(1-((1-(3-((E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-3-(2-(2-HYDROXYPROPAN-2-YL)PHENYL)PROPYL)SULFANYLMETHYL)CYCLOPROPYL)ACETONITRILE