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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22F3NO9
Molecular Weight 489.3959
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, S

SHOW SMILES / InChI
Structure of DE(AMIDE)-ACYL-GLUCURONIDE ESAXERENONE

SMILES

CC1=C(N(CCO)C=C1C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=C(C=CC=C3)C(F)(F)F

InChI

InChIKey=GTUGLTYRSWPYGN-GHHWKCCRSA-N
InChI=1S/C21H22F3NO9/c1-9-11(19(32)34-20-16(29)14(27)15(28)17(33-20)18(30)31)8-25(6-7-26)13(9)10-4-2-3-5-12(10)21(22,23)24/h2-5,8,14-17,20,26-29H,6-7H2,1H3,(H,30,31)/t14-,15-,16+,17-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22F3NO9
Molecular Weight 489.3959
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:38:41 UTC 2023
Edited
by admin
on Sat Dec 16 15:38:41 UTC 2023
Record UNII
H2IEW797ZX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DE(AMIDE)-ACYL-GLUCURONIDE ESAXERENONE
Common Name English
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(1-(2-HYDROXYETHYL)-4-METHYL-5-(2-(TRIFLUOROMETHYL)PHENYL)PYRROLE-3-CARBONYL)OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
ESAXERENONE METABOLITE M11
Common Name English
Code System Code Type Description
FDA UNII
H2IEW797ZX
Created by admin on Sat Dec 16 15:38:41 UTC 2023 , Edited by admin on Sat Dec 16 15:38:41 UTC 2023
PRIMARY
PUBCHEM
145996728
Created by admin on Sat Dec 16 15:38:41 UTC 2023 , Edited by admin on Sat Dec 16 15:38:41 UTC 2023
PRIMARY
Related Record Type Details
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