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

Details

Stereochemistry ACHIRAL
Molecular Formula C31H33N3O6S
Molecular Weight 575.675
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZAFIRLUKAST M-TOLYL ISOMER

SMILES

COC1=CC(=CC=C1CC2=CN(C)C3=CC=C(NC(=O)OC4CCCC4)C=C23)C(=O)NS(=O)(=O)C5=CC(C)=CC=C5

InChI

InChIKey=CXQBGQANHHFUKA-UHFFFAOYSA-N
InChI=1S/C31H33N3O6S/c1-20-7-6-10-26(15-20)41(37,38)33-30(35)22-12-11-21(29(17-22)39-3)16-23-19-34(2)28-14-13-24(18-27(23)28)32-31(36)40-25-8-4-5-9-25/h6-7,10-15,17-19,25H,4-5,8-9,16H2,1-3H3,(H,32,36)(H,33,35)

HIDE SMILES / InChI

Approval Year

Name Type Language
ZAFIRLUKAST M-TOLYL ISOMER
Common Name English
CARBAMIC ACID, N-(3-((2-METHOXY-4-((((3-METHYLPHENYL)SULFONYL)AMINO)CARBONYL)PHENYL)METHYL)-1-METHYL-1H-INDOL-5-YL)-, CYCLOPENTYL ESTER
Systematic Name English
CYCLOPENTYL N-(3-((2-METHOXY-4-((((3-METHYLPHENYL)SULFONYL)AMINO)CARBONYL)PHENYL)METHYL)-1-METHYL-1H-INDOL-5-YL)CARBAMATE
Systematic Name English
Code System Code Type Description
PUBCHEM
42633112
Created by admin on Sat Dec 16 11:50:12 GMT 2023 , Edited by admin on Sat Dec 16 11:50:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID50655286
Created by admin on Sat Dec 16 11:50:12 GMT 2023 , Edited by admin on Sat Dec 16 11:50:12 GMT 2023
PRIMARY
FDA UNII
EQ3N9DHQ7U
Created by admin on Sat Dec 16 11:50:12 GMT 2023 , Edited by admin on Sat Dec 16 11:50:12 GMT 2023
PRIMARY
CAS
1159195-69-3
Created by admin on Sat Dec 16 11:50:12 GMT 2023 , Edited by admin on Sat Dec 16 11:50:12 GMT 2023
PRIMARY