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Details

Stereochemistry ACHIRAL
Molecular Formula C15H13ClFNO3
Molecular Weight 309.72
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXYMETHYL LUMIRACOXIB

SMILES

OCC1=CC=C(NC2=C(F)C=CC=C2Cl)C(CC(O)=O)=C1

InChI

InChIKey=PREBINJQDJNORC-UHFFFAOYSA-N
InChI=1S/C15H13ClFNO3/c16-11-2-1-3-12(17)15(11)18-13-5-4-9(8-19)6-10(13)7-14(20)21/h1-6,18-19H,7-8H2,(H,20,21)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
BENZENEACETIC ACID, 2-((2-CHLORO-6-FLUOROPHENYL)AMINO)-5-(HYDROXYMETHYL)-
Preferred Name English
5-HYDROXYMETHYL LUMIRACOXIB
Common Name English
LUMIRACOXIB METABOLITE M21
Systematic Name English
Code System Code Type Description
CAS
697287-16-4
Created by admin on Wed Apr 02 06:49:45 GMT 2025 , Edited by admin on Wed Apr 02 06:49:45 GMT 2025
PRIMARY
FDA UNII
BWY4M9ECD7
Created by admin on Wed Apr 02 06:49:45 GMT 2025 , Edited by admin on Wed Apr 02 06:49:45 GMT 2025
PRIMARY
PUBCHEM
154585067
Created by admin on Wed Apr 02 06:49:45 GMT 2025 , Edited by admin on Wed Apr 02 06:49:45 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of LUMIRACOXIB
NIH
NCATS
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