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

Details

Stereochemistry ACHIRAL
Molecular Formula C37H33ClFN3O4
Molecular Weight 638.127
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JTK-109

SMILES

OC(=O)C1=CC=C2N(C3CCCCC3)C(=NC2=C1)C4=CC=C(OCC5=CC(=CC=C5C6=CC=C(Cl)C=C6)N7CCCC7=O)C=C4F

InChI

InChIKey=NIBYCXOKANETJM-UHFFFAOYSA-N
InChI=1S/C37H33ClFN3O4/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)

HIDE SMILES / InChI

Approval Year

Name Type Language
JTK-109
Code English
JTK109
Code English
2-(4-((2-(4-CHLOROPHENYL)-5-(2-OXOPYRROLIDIN-1-YL)PHENYL)METHOXY)-2-FLUORO-PHENYL)-1-CYCLOHEXYL-BENZIMIDAZOLE-5-CARBOXYLIC ACID
Systematic Name English
1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2-(4-((4'-CHLORO-4-(2-OXO-1-PYRROLIDINYL)(1,1'-BIPHENYL)-2-YL)METHOXY)-2-FLUOROPHENYL)-1-CYCLOHEXYL-
Systematic Name English
2-(4-(2-(4-CHLOROPHENYL)-5-(2-OXOPYRROLIDIN-1-YL)BENZYLOXY)-2-FLUOROPHENYL)-1-CYCLOHEXYLBENZIMIDAZOLE-5-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
CAS
480462-62-2
Created by admin on Sat Dec 16 10:48:29 GMT 2023 , Edited by admin on Sat Dec 16 10:48:29 GMT 2023
PRIMARY
FDA UNII
BJA28665XS
Created by admin on Sat Dec 16 10:48:29 GMT 2023 , Edited by admin on Sat Dec 16 10:48:29 GMT 2023
PRIMARY
PUBCHEM
11686018
Created by admin on Sat Dec 16 10:48:29 GMT 2023 , Edited by admin on Sat Dec 16 10:48:29 GMT 2023
PRIMARY