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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H32ClNO4S
Molecular Weight 586.14
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2'-DES(1-HYDROXY-1-METHYLETHYL)-2'-METHYCARBOXY MONTELUKAST

SMILES

COC(=O)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=FVMXWBDOMBDOJN-JLBZDQGGSA-N
InChI=1S/C34H32ClNO4S/c1-40-33(39)29-8-3-2-6-24(29)12-16-31(41-22-34(17-18-34)21-32(37)38)26-7-4-5-23(19-26)9-14-28-15-11-25-10-13-27(35)20-30(25)36-28/h2-11,13-15,19-20,31H,12,16-18,21-22H2,1H3,(H,37,38)/b14-9+/t31-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2'-DES(1-HYDROXY-1-METHYLETHYL)-2'-METHYCARBOXY MONTELUKAST
Common Name English
MONTELUKAST METHYL ESTER
Common Name English
MONTELUKAST SODIUM IMPURITY H [EP IMPURITY]
Common Name English
(+)-DES(1-HYDROXY-1-METHYLETHYL) METHYCARBOXY MONTELUKAST
Common Name English
(1-((((1R)-1-(3-((E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-3-(2-(METHOXYCARBONYL)PHENYL)PROPYL)SULFANYL)METHYL)CYCLOPROPYL)ACETIC ACID
Systematic Name English
DES(1-HYDROXY-1-METHYLETHYL) METHYCARBOXY MONTELUKAST
Common Name English
BENZOIC ACID, 2-((3R)-3-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)THIO)-3-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)PROPYL)-, 1-METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
11556341
Created by admin on Sat Dec 16 09:57:56 GMT 2023 , Edited by admin on Sat Dec 16 09:57:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID20234345
Created by admin on Sat Dec 16 09:57:56 GMT 2023 , Edited by admin on Sat Dec 16 09:57:56 GMT 2023
PRIMARY
CAS
851755-56-1
Created by admin on Sat Dec 16 09:57:56 GMT 2023 , Edited by admin on Sat Dec 16 09:57:56 GMT 2023
PRIMARY
FDA UNII
KUW20633YM
Created by admin on Sat Dec 16 09:57:56 GMT 2023 , Edited by admin on Sat Dec 16 09:57:56 GMT 2023
PRIMARY