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Details

Stereochemistry ACHIRAL
Molecular Formula C22H19F3N2O5S
Molecular Weight 480.457
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 1-DE(HYDROXYETHYL)-1-ACETIC ACID-ESAXERENONE

SMILES

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

InChI

InChIKey=UKUZCFWTKVQNBE-UHFFFAOYSA-N
InChI=1S/C22H19F3N2O5S/c1-13-17(21(30)26-14-7-9-15(10-8-14)33(2,31)32)11-27(12-19(28)29)20(13)16-5-3-4-6-18(16)22(23,24)25/h3-11H,12H2,1-2H3,(H,26,30)(H,28,29)

HIDE SMILES / InChI

Molecular Formula C22H19F3N2O5S
Molecular Weight 480.457
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 Dec 16 15:19:27 UTC 2023
Edited
by admin
on Sat Dec 16 15:19:27 UTC 2023
Record UNII
N0CN56YYD6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-DE(HYDROXYETHYL)-1-ACETIC ACID-ESAXERENONE
Common Name English
ESAXERENONE METABOLITE M2
Common Name English
1H-PYRROLE-1-ACETIC ACID, 3-METHYL-4-(((4-(METHYLSULFONYL)PHENYL)AMINO)CARBONYL)-2-(2-(TRIFLUOROMETHYL)PHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
N0CN56YYD6
Created by admin on Sat Dec 16 15:19:27 UTC 2023 , Edited by admin on Sat Dec 16 15:19:27 UTC 2023
PRIMARY
CAS
2244885-13-8
Created by admin on Sat Dec 16 15:19:27 UTC 2023 , Edited by admin on Sat Dec 16 15:19:27 UTC 2023
PRIMARY
PUBCHEM
145996639
Created by admin on Sat Dec 16 15:19:27 UTC 2023 , Edited by admin on Sat Dec 16 15:19:27 UTC 2023
PRIMARY
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