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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H21F3N2O4S
Molecular Weight 466.4753
Optical Activity NONE
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, S

SHOW SMILES / InChI
Structure of ESAXERENONE

SMILES

Cc1c(cn(CCO)c1-c2ccccc2C(F)(F)F)C(=O)Nc3ccc(cc3)S(=O)(=O)C

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

Molecular Formula C22H21F3N2O4S
Molecular Weight 466.4753
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:14:46 UTC 2021
Edited
by admin
on Sat Jun 26 07:14:46 UTC 2021
Record UNII
N62TGJ04A1
Record Status Validated (UNII)
Record Version
  • Download
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
Code System Code Type Description
INN
10230
Created by admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
PRIMARY
FDA UNII
N62TGJ04A1
Created by admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
PRIMARY
CAS
880780-76-7
Created by admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
25052023
Created by admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
PRIMARY
ChEMBL
CHEMBL3545393
Created by admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
PRIMARY
DRUG BANK
DB15207
Created by admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
PRIMARY
CAS
1632006-28-0
Created by admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
PRIMARY
NCI_THESAURUS
C174741
Created by admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
PRIMARY
WIKIPEDIA
Esaxerenone
Created by admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
PRIMARY
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