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Details

Stereochemistry ACHIRAL
Molecular Formula C15H13ClFNO4
Molecular Weight 325.719
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

OCC1=CC=C(NC2=C(Cl)C=C(O)C=C2F)C(CC(O)=O)=C1

InChI

InChIKey=CTTBSLWMGLKKJO-UHFFFAOYSA-N
InChI=1S/C15H13ClFNO4/c16-11-5-10(20)6-12(17)15(11)18-13-2-1-8(7-19)3-9(13)4-14(21)22/h1-3,5-6,18-20H,4,7H2,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C15H13ClFNO4
Molecular Weight 325.719
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 16:12:43 UTC 2023
Edited
by admin
on Sat Dec 16 16:12:43 UTC 2023
Record UNII
G85W714FFV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-HYDROXYMETHYL-4'-HYDROXYLUMIRACOXIB
Common Name English
BENZENEACETIC ACID, 2-((2-CHLORO-6-FLUORO-4-HYDROXYPHENYL)AMINO)-5-(HYDROXYMETHYL)-
Systematic Name English
LUMIRACOXIB METABOLITE M9
Common Name English
Code System Code Type Description
PUBCHEM
154584895
Created by admin on Sat Dec 16 16:12:43 UTC 2023 , Edited by admin on Sat Dec 16 16:12:43 UTC 2023
PRIMARY
FDA UNII
G85W714FFV
Created by admin on Sat Dec 16 16:12:43 UTC 2023 , Edited by admin on Sat Dec 16 16:12:43 UTC 2023
PRIMARY
CAS
697287-10-8
Created by admin on Sat Dec 16 16:12:43 UTC 2023 , Edited by admin on Sat Dec 16 16:12:43 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE