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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=CC=CC=C3C(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
Molecular Formula C22H21F3N2O4S
Molecular Weight 466.473
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:34:59 GMT 2025
Edited
by admin
on Mon Mar 31 22:34:59 GMT 2025
Record UNII
N62TGJ04A1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
esaxerenone [INN]
Preferred Name English
ESAXERENONE
INN   WHO-DD  
INN  
Official 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 Mon Mar 31 22:34:59 GMT 2025 , Edited by admin on Mon Mar 31 22:34:59 GMT 2025
PRIMARY
FDA UNII
N62TGJ04A1
Created by admin on Mon Mar 31 22:34:59 GMT 2025 , Edited by admin on Mon Mar 31 22:34:59 GMT 2025
PRIMARY
CAS
880780-76-7
Created by admin on Mon Mar 31 22:34:59 GMT 2025 , Edited by admin on Mon Mar 31 22:34:59 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
25052023
Created by admin on Mon Mar 31 22:34:59 GMT 2025 , Edited by admin on Mon Mar 31 22:34:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID601336896
Created by admin on Mon Mar 31 22:34:59 GMT 2025 , Edited by admin on Mon Mar 31 22:34:59 GMT 2025
PRIMARY
ChEMBL
CHEMBL3545393
Created by admin on Mon Mar 31 22:34:59 GMT 2025 , Edited by admin on Mon Mar 31 22:34:59 GMT 2025
PRIMARY
SMS_ID
300000008644
Created by admin on Mon Mar 31 22:34:59 GMT 2025 , Edited by admin on Mon Mar 31 22:34:59 GMT 2025
PRIMARY
DRUG BANK
DB15207
Created by admin on Mon Mar 31 22:34:59 GMT 2025 , Edited by admin on Mon Mar 31 22:34:59 GMT 2025
PRIMARY
CAS
1632006-28-0
Created by admin on Mon Mar 31 22:34:59 GMT 2025 , Edited by admin on Mon Mar 31 22:34:59 GMT 2025
PRIMARY
NCI_THESAURUS
C174741
Created by admin on Mon Mar 31 22:34:59 GMT 2025 , Edited by admin on Mon Mar 31 22:34:59 GMT 2025
PRIMARY
WIKIPEDIA
Esaxerenone
Created by admin on Mon Mar 31 22:34:59 GMT 2025 , Edited by admin on Mon Mar 31 22:34:59 GMT 2025
PRIMARY
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Structure of ESAXERENONE
EXCRETED UNCHANGED
FECAL
Structure of ESAXERENONE
EXCRETED UNCHANGED
URINE
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> SUBSTRATE
Related Record Type Details
Structure of ESAXERENONE-O-GLUCURONIDE
METABOLITE -> PARENT
MAJOR
URINE
Structure of 4-(DEMETHYL)-4-(HYDROXYMETHYL)-ESAXERENONE
METABOLITE -> PARENT
FECAL; URINE
Structure of 4-(DEMETHYL)-4-(HYDROXYMETHYL)-1-DE(HYDROXYETHYL)-1-ACETIC ACID-ESAXERENONE
METABOLITE -> PARENT
FECAL; URINE
Structure of DES(HYDROXYETHYL) ESAXERENONE
METABOLITE -> PARENT
PLASMA
Structure of 1-DE(HYDROXYETHYL)-1-ACETIC ACID-ESAXERENONE
PARENT -> METABOLITE
URINE
Structure of DE(AMIDE)-O-GLUCURONIDE ESAXERENONE
METABOLITE -> PARENT
the sum of the excretion ratio of M11 and M12 was approximately 13%.
URINE
Structure of 1-DE(HYDROXYETHYL)-1-ACETIC ACID-ESAXERENONE
METABOLITE -> PARENT
FECAL
Structure of DE(AMIDE)-ACYL-GLUCURONIDE ESAXERENONE
METABOLITE -> PARENT
URINE
Related Record Type Details
Structure of ESAXERENONE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

SINGLE DOSE

Tmax PHARMACOKINETIC SINGLE DOSE

ORAL ADMINISTRATION

blood-to-plasma ratio PHARMACOKINETIC
NIH
NCATS
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