3'-HYDROXYDICLOFENAC

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 Search

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

Title	Date	PubMed
Diclofenac hypersensitivity: antibody responses to the parent drug and relevant metabolites.	2010 Oct 28	21060839

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


					144O8QL0L1

DICLOFENAC

PARENT -> METABOLITE

Comments:

CYP3A4 is responsible for the formation of minor metabolites, 5-hydroxy and 3'-hydroxy-diclofenac

Interaction Type:

MINOR