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Details

Stereochemistry ACHIRAL
Molecular Formula C22H23NO5S
Molecular Weight 413.487
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-(3-(4-METHYLSULFONYLPHENYL)-5-OXO-1-PROPYL-2H-PYRROL-4-YL)PHENYL)ACETIC ACID

SMILES

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

InChI

InChIKey=DBRWMNPHBAUZPT-UHFFFAOYSA-N
InChI=1S/C22H23NO5S/c1-3-12-23-14-19(16-8-10-18(11-9-16)29(2,27)28)21(22(23)26)17-6-4-15(5-7-17)13-20(24)25/h4-11H,3,12-14H2,1-2H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C22H23NO5S
Molecular Weight 413.487
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 15:40:45 GMT 2023
Edited
by admin
on Sat Dec 16 15:40:45 GMT 2023
Record UNII
5GSZ9S7U8M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-(3-(4-METHYLSULFONYLPHENYL)-5-OXO-1-PROPYL-2H-PYRROL-4-YL)PHENYL)ACETIC ACID
Systematic Name English
IMRECOXIB METABOLITE M2
Common Name English
Code System Code Type Description
FDA UNII
5GSZ9S7U8M
Created by admin on Sat Dec 16 15:40:45 GMT 2023 , Edited by admin on Sat Dec 16 15:40:45 GMT 2023
PRIMARY
PUBCHEM
156613689
Created by admin on Sat Dec 16 15:40:45 GMT 2023 , Edited by admin on Sat Dec 16 15:40:45 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
MAJOR
PLASMA