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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H21F3N2O4S
Molecular Weight 466.473
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, S

SHOW SMILES / InChI
Structure of ESAXERENONE

SMILES

CC1=C(N(CCO)C=C1C(=O)NC2=CC=C(C=C2)S(C)(=O)=O)C3=C(C=CC=C3)C(F)(F)F

InChI

InChIKey=NOSNHVJANRODGR-UHFFFAOYSA-N
InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)

HIDE SMILES / InChI

Approval Year

Name Type Language
ESAXERENONE
INN   WHO-DD  
INN  
Official Name English
esaxerenone [INN]
Common Name English
Esaxerenone [WHO-DD]
Common Name English
1H-PYRROLE-3-CARBOXAMIDE, 1-(2-HYDROXYETHYL)-4-METHYL-N-(4-(METHYLSULFONYL)PHENYL)-5-(2-(TRIFLUOROMETHYL)PHENYL)-, (5S)-
Systematic Name English
XL-550
Code English
CS-3150
Common Name English
ESAXERENONE [JAN]
Common Name English
Code System Code Type Description
INN
10230
Created by admin on Sat Dec 16 09:13:40 GMT 2023 , Edited by admin on Sat Dec 16 09:13:40 GMT 2023
PRIMARY
FDA UNII
N62TGJ04A1
Created by admin on Sat Dec 16 09:13:40 GMT 2023 , Edited by admin on Sat Dec 16 09:13:40 GMT 2023
PRIMARY
CAS
880780-76-7
Created by admin on Sat Dec 16 09:13:40 GMT 2023 , Edited by admin on Sat Dec 16 09:13:40 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
25052023
Created by admin on Sat Dec 16 09:13:40 GMT 2023 , Edited by admin on Sat Dec 16 09:13:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID601336896
Created by admin on Sat Dec 16 09:13:40 GMT 2023 , Edited by admin on Sat Dec 16 09:13:40 GMT 2023
PRIMARY
ChEMBL
CHEMBL3545393
Created by admin on Sat Dec 16 09:13:40 GMT 2023 , Edited by admin on Sat Dec 16 09:13:40 GMT 2023
PRIMARY
SMS_ID
300000008644
Created by admin on Sat Dec 16 09:13:40 GMT 2023 , Edited by admin on Sat Dec 16 09:13:40 GMT 2023
PRIMARY
DRUG BANK
DB15207
Created by admin on Sat Dec 16 09:13:40 GMT 2023 , Edited by admin on Sat Dec 16 09:13:40 GMT 2023
PRIMARY
CAS
1632006-28-0
Created by admin on Sat Dec 16 09:13:40 GMT 2023 , Edited by admin on Sat Dec 16 09:13:40 GMT 2023
PRIMARY
NCI_THESAURUS
C174741
Created by admin on Sat Dec 16 09:13:40 GMT 2023 , Edited by admin on Sat Dec 16 09:13:40 GMT 2023
PRIMARY
WIKIPEDIA
Esaxerenone
Created by admin on Sat Dec 16 09:13:40 GMT 2023 , Edited by admin on Sat Dec 16 09:13:40 GMT 2023
PRIMARY