ESAXERENONE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Investigational

Investigational

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

Structure Search

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

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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DE(AMIDE)-ACYL-GLUCURONIDE ESAXERENONE

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					N62TGJ04A1

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