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Details

Stereochemistry ACHIRAL
Molecular Formula C22H25NO4S
Molecular Weight 399.503
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-(2-HYDROXYETHYL)PHENYL)-3-(4-METHYLSULFONYLPHENYL)-1-PROPYL-2H-PYRROL-5-ONE

SMILES

CCCN1CC(=C(C1=O)C2=CC=C(CCO)C=C2)C3=CC=C(C=C3)S(C)(=O)=O

InChI

InChIKey=OBBDTDDLBJVAII-UHFFFAOYSA-N
InChI=1S/C22H25NO4S/c1-3-13-23-15-20(17-8-10-19(11-9-17)28(2,26)27)21(22(23)25)18-6-4-16(5-7-18)12-14-24/h4-11,24H,3,12-15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C22H25NO4S
Molecular Weight 399.503
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 15:08:36 UTC 2023
Edited
by admin
on Sat Dec 16 15:08:36 UTC 2023
Record UNII
MZ9JNU8TWR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-(2-HYDROXYETHYL)PHENYL)-3-(4-METHYLSULFONYLPHENYL)-1-PROPYL-2H-PYRROL-5-ONE
Systematic Name English
IMRECOXIB METABOLITE M1
Common Name English
Code System Code Type Description
PUBCHEM
156596883
Created by admin on Sat Dec 16 15:08:37 UTC 2023 , Edited by admin on Sat Dec 16 15:08:37 UTC 2023
PRIMARY
FDA UNII
MZ9JNU8TWR
Created by admin on Sat Dec 16 15:08:37 UTC 2023 , Edited by admin on Sat Dec 16 15:08:37 UTC 2023
PRIMARY
Related Record Type Details
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MAJOR
PLASMA
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