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

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H38ClNO3S
Molecular Weight 600.21
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MONTELUKAST METHYL ETHER

SMILES

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

InChI

InChIKey=AGNZHLCBXLQHOS-ISYDNLPHSA-N
InChI=1S/C36H38ClNO3S/c1-35(2,41-3)31-10-5-4-8-26(31)14-18-33(42-24-36(19-20-36)23-34(39)40)28-9-6-7-25(21-28)11-16-30-17-13-27-12-15-29(37)22-32(27)38-30/h4-13,15-17,21-22,33H,14,18-20,23-24H2,1-3H3,(H,39,40)/b16-11+/t33-/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H38ClNO3S
Molecular Weight 600.21
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 17:32:11 UTC 2023
Edited
by admin
on Sat Dec 16 17:32:11 UTC 2023
Record UNII
SC7MX29ZBF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONTELUKAST METHYL ETHER
Common Name English
CYCLOPROPANEACETIC ACID, 1-((((1R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-(2-(1-METHOXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
125321320
Created by admin on Sat Dec 16 17:32:12 UTC 2023 , Edited by admin on Sat Dec 16 17:32:12 UTC 2023
PRIMARY
FDA UNII
SC7MX29ZBF
Created by admin on Sat Dec 16 17:32:12 UTC 2023 , Edited by admin on Sat Dec 16 17:32:12 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY