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Details

Stereochemistry ACHIRAL
Molecular Formula C14H11Cl2NO3
Molecular Weight 312.1484
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-HYDROXYDICLOFENAC

SMILES

c1ccc(c(c1)CC(=O)O)Nc2c(ccc(c2Cl)O)Cl

InChI

InChIKey=HYPJZSYXUWYJDG-UHFFFAOYSA-N
InChI=1S/C14H11Cl2NO3/c15-9-5-6-11(18)13(16)14(9)17-10-4-2-1-3-8(10)7-12(19)20/h1-6,17-18H,7H2,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C14H11Cl2NO3
Molecular Weight 312.1484
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Diclofenac hypersensitivity: antibody responses to the parent drug and relevant metabolites.
2010 Oct 28
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:27:25 UTC 2021
Edited
by admin
on Sat Jun 26 11:27:25 UTC 2021
Record UNII
8489I2R79K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-HYDROXYDICLOFENAC
Common Name English
HYDROXYDICLOFENAC, 3'-
Common Name English
BENZENEACETIC ACID, 2-((2,6-DICHLORO-3-HYDROXYPHENYL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
8489I2R79K
Created by admin on Sat Jun 26 11:27:25 UTC 2021 , Edited by admin on Sat Jun 26 11:27:25 UTC 2021
PRIMARY
EPA CompTox
69002-85-3
Created by admin on Sat Jun 26 11:27:25 UTC 2021 , Edited by admin on Sat Jun 26 11:27:25 UTC 2021
PRIMARY
PUBCHEM
112230
Created by admin on Sat Jun 26 11:27:25 UTC 2021 , Edited by admin on Sat Jun 26 11:27:25 UTC 2021
PRIMARY
CAS
69002-85-3
Created by admin on Sat Jun 26 11:27:25 UTC 2021 , Edited by admin on Sat Jun 26 11:27:25 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
CYP3A4 is responsible for the formation of minor metabolites, 5-hydroxy and 3'-hydroxy-diclofenac
MINOR