U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H37ClN2O2S
Molecular Weight 585.198
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MONTELUKAST CYCLOPROPANEACETAMIDE

SMILES

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

InChI

InChIKey=MCYITTCDIONXIV-TZIWLTJVSA-N
InChI=1S/C35H37ClN2O2S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(37)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)38-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H2,37,39)/b15-10+/t32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H37ClN2O2S
Molecular Weight 585.198
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 14:37:12 UTC 2023
Edited
by admin
on Sat Dec 16 14:37:12 UTC 2023
Record UNII
K63LDH5T7D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONTELUKAST CYCLOPROPANEACETAMIDE
Common Name English
1-((((1R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETAMIDE ABSOLUTE STEREOCHEMISTRY.,DOUBLE BOND GEOMETRY AS SHOWN.
Systematic Name English
CYCLOPROPANEACETAMIDE, 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
MONTELUKAST RELATED COMPOUND-03
Common Name English
Code System Code Type Description
FDA UNII
K63LDH5T7D
Created by admin on Sat Dec 16 14:37:12 UTC 2023 , Edited by admin on Sat Dec 16 14:37:12 UTC 2023
PRIMARY
CAS
866923-63-9
Created by admin on Sat Dec 16 14:37:12 UTC 2023 , Edited by admin on Sat Dec 16 14:37:12 UTC 2023
PRIMARY
PUBCHEM
16123515
Created by admin on Sat Dec 16 14:37:12 UTC 2023 , Edited by admin on Sat Dec 16 14:37:12 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY