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Details

Stereochemistry ACHIRAL
Molecular Formula C20H17F3N2O3S
Molecular Weight 422.421
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES(HYDROXYETHYL) ESAXERENONE

SMILES

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

InChI

InChIKey=QBMZGPYCBRVTKF-UHFFFAOYSA-N
InChI=1S/C20H17F3N2O3S/c1-12-16(19(26)25-13-7-9-14(10-8-13)29(2,27)28)11-24-18(12)15-5-3-4-6-17(15)20(21,22)23/h3-11,24H,1-2H3,(H,25,26)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
DES(HYDROXYETHYL) ESAXERENONE
Common Name English
1H-PYRROLE-3-CARBOXAMIDE, 4-METHYL-N-(4-(METHYLSULFONYL)PHENYL)-5-(2-(TRIFLUOROMETHYL)PHENYL)-
Systematic Name English
4-METHYL-N-(4-(METHYLSULFONYL)PHENYL)-5-(2-(TRIFLUOROMETHYL)PHENYL)-1H-PYRROLE-3-CARBOXAMIDE
Systematic Name English
ESAXERENONE METABOLITE M1
Common Name English
Code System Code Type Description
PUBCHEM
58538830
Created by admin on Sat Dec 16 15:16:43 GMT 2023 , Edited by admin on Sat Dec 16 15:16:43 GMT 2023
PRIMARY
CAS
880779-74-8
Created by admin on Sat Dec 16 15:16:43 GMT 2023 , Edited by admin on Sat Dec 16 15:16:43 GMT 2023
PRIMARY
FDA UNII
LI5TPS2T7K
Created by admin on Sat Dec 16 15:16:43 GMT 2023 , Edited by admin on Sat Dec 16 15:16:43 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of ESAXERENONE
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