4-(DEMETHYL)-4-(HYDROXYMETHYL)-ESAXERENONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H21F3N2O5S
Molecular Weight	482.473
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 4-(DEMETHYL)-4-(HYDROXYMETHYL)-ESAXERENONE

Structure Search

SMILES

CS(=O)(=O)C1=CC=C(NC(=O)C2=CN(CCO)C(=C2CO)C3=C(C=CC=C3)C(F)(F)F)C=C1

InChI

InChIKey=MJBDEYVAASUVGE-UHFFFAOYSA-N

InChI=1S/C22H21F3N2O5S/c1-33(31,32)15-8-6-14(7-9-15)26-21(30)17-12-27(10-11-28)20(18(17)13-29)16-4-2-3-5-19(16)22(23,24)25/h2-9,12,28-29H,10-11,13H2,1H3,(H,26,30)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ESAXERENONE METABOLITE M3

Preferred Name

English

4-(DEMETHYL)-4-(HYDROXYMETHYL)-ESAXERENONE

Common Name

English

1H-PYRROLE-3-CARBOXAMIDE, 1-(2-HYDROXYETHYL)-4-(HYDROXYMETHYL)-N-(4-(METHYLSULFONYL)PHENYL)-5-(2-(TRIFLUOROMETHYL)PHENYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

JJZ15LK21F

Created by admin on Wed Apr 02 04:59:30 GMT 2025 , Edited by admin on Wed Apr 02 04:59:30 GMT 2025

PRIMARY

PUBCHEM

145996805

Created by admin on Wed Apr 02 04:59:30 GMT 2025 , Edited by admin on Wed Apr 02 04:59:30 GMT 2025

PRIMARY

CAS

2244887-01-0

Created by admin on Wed Apr 02 04:59:30 GMT 2025 , Edited by admin on Wed Apr 02 04:59:30 GMT 2025

PRIMARY

PARENT (METABOLITE)


					N62TGJ04A1

ESAXERENONE

SUBSTANCE RECORD


					JJZ15LK21F

4-(DEMETHYL)-4-(HYDROXYMETHYL)-ESAXERENONE