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Details

Stereochemistry ACHIRAL
Molecular Formula C15H11ClFNO8S
Molecular Weight 419.766
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-SULFOOXY-5-CARBOXY LUMIRACOXIB

SMILES

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

InChI

InChIKey=NDKGEYRNJBCHHS-UHFFFAOYSA-N
InChI=1S/C15H11ClFNO8S/c16-10-5-9(26-27(23,24)25)6-11(17)14(10)18-12-2-1-7(15(21)22)3-8(12)4-13(19)20/h1-3,5-6,18H,4H2,(H,19,20)(H,21,22)(H,23,24,25)

HIDE SMILES / InChI

Molecular Formula C15H11ClFNO8S
Molecular Weight 419.766
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 16:16:32 UTC 2023
Edited
by admin
on Sat Dec 16 16:16:32 UTC 2023
Record UNII
82NR9Q9K3J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-SULFOOXY-5-CARBOXY LUMIRACOXIB
Common Name English
LUMIRACOXIB METABOLITE M2
Common Name English
BENZENEACETIC ACID, 5-CARBOXY-2-((2-CHLORO-6-FLUORO-4-(SULFOOXY)PHENYL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
82NR9Q9K3J
Created by admin on Sat Dec 16 16:16:32 UTC 2023 , Edited by admin on Sat Dec 16 16:16:32 UTC 2023
PRIMARY
PUBCHEM
154584980
Created by admin on Sat Dec 16 16:16:32 UTC 2023 , Edited by admin on Sat Dec 16 16:16:32 UTC 2023
PRIMARY
CAS
697287-06-2
Created by admin on Sat Dec 16 16:16:32 UTC 2023 , Edited by admin on Sat Dec 16 16:16:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA; URINE