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Details

Stereochemistry ACHIRAL
Molecular Formula C15H11ClFNO5
Molecular Weight 339.703
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-CARBOXY-4'-HYDROXYLUMIRACOXIB

SMILES

OC(=O)CC1=CC(=CC=C1NC2=C(Cl)C=C(O)C=C2F)C(O)=O

InChI

InChIKey=MNDQIDSPYXYALX-UHFFFAOYSA-N
InChI=1S/C15H11ClFNO5/c16-10-5-9(19)6-11(17)14(10)18-12-2-1-7(15(22)23)3-8(12)4-13(20)21/h1-3,5-6,18-19H,4H2,(H,20,21)(H,22,23)

HIDE SMILES / InChI

Molecular Formula C15H11ClFNO5
Molecular Weight 339.703
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 13:40:34 UTC 2023
Edited
by admin
on Sat Dec 16 13:40:34 UTC 2023
Record UNII
59DRA6N0F0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-CARBOXY-4'-HYDROXYLUMIRACOXIB
Common Name English
BENZENEACETIC ACID, 5-CARBOXY-2-((2-CHLORO-6-FLUORO-4-HYDROXYPHENYL)AMINO)-
Systematic Name English
LUMIRACOXIB METABOLITE M5
Common Name English
Code System Code Type Description
PUBCHEM
135390857
Created by admin on Sat Dec 16 13:40:34 UTC 2023 , Edited by admin on Sat Dec 16 13:40:34 UTC 2023
PRIMARY
CAS
749921-04-8
Created by admin on Sat Dec 16 13:40:34 UTC 2023 , Edited by admin on Sat Dec 16 13:40:34 UTC 2023
PRIMARY
FDA UNII
59DRA6N0F0
Created by admin on Sat Dec 16 13:40:34 UTC 2023 , Edited by admin on Sat Dec 16 13:40:34 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
PARENT -> METABOLITE
MAJOR
FECAL; PLASMA; URINE