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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

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