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Details

Stereochemistry ACHIRAL
Molecular Formula C14H11Cl2NO2
Molecular Weight 296.149
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICLOFENAC

SMILES

OC(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1

InChI

InChIKey=DCOPUUMXTXDBNB-UHFFFAOYSA-N
InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)

HIDE SMILES / InChI
Molecular Formula C14H11Cl2NO2
Molecular Weight 296.149
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:42:54 UTC 2023
Edited
by admin
on Fri Dec 15 15:42:54 UTC 2023
Record UNII
144O8QL0L1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DICLOFENAC
HSDB   INN   MART.   MI   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
Diclofenac [WHO-DD]
Common Name English
DICLOFENAC [MI]
Common Name English
DICLOFENAC [VANDF]
Common Name English
DICLOFENAC FREE ACID
Common Name English
ACECLOFENAC IMPURITY A [EP IMPURITY]
Common Name English
DICLOFENAC [HSDB]
Common Name English
diclofenac [INN]
Common Name English
DICLOFENAC [ORANGE BOOK]
Common Name English
LAS-41007
Code English
LAS41007
Code English
(2-((2,6-DICHLOROPHENYL)AMINO)PHENYL)ACETIC ACID
Systematic Name English
DICLOFENAC [MART.]
Common Name English
BENZENEACETIC ACID, 2-((2,6-DICHLOROPHENYL)AMINO)-
Systematic Name English
DICLOFENAC [USAN]
Common Name English
DICLOFENAC ACID
Common Name English
(O-(2,6-DICHLOROANILINO)PHENYL)ACETIC ACID
Common Name English
Classification Tree Code System Code
WHO-ATC M01AB05
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
WHO-ATC S01BC03
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
WHO-ATC S01CC01
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
CFR 21 CFR 524.590
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
WHO-ATC D11AX18
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
WHO-VATC QD11AX18
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
NDF-RT N0000175722
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
WHO-ATC M01AB55
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
LIVERTOX NBK547953
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
WHO-VATC QM02AA15
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
WHO-VATC QS01CC01
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
WHO-ATC M02AA15
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
WHO-VATC QM01AB05
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
WHO-VATC QS01BC03
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
NCI_THESAURUS C1323
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
Code System Code Type Description
DRUG BANK
DB00586
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
PRIMARY
DRUG CENTRAL
865
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
PRIMARY
HSDB
7234
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY
RXCUI
3355
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY RxNorm
INN
3270
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY
LACTMED
Diclofenac
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY
MESH
D004008
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY
DAILYMED
144O8QL0L1
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID6022923
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
PRIMARY
CAS
15307-86-5
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
PRIMARY
USAN
AB-122
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY
ChEMBL
CHEMBL139
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
PRIMARY
SMS_ID
100000092798
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY
FDA UNII
144O8QL0L1
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY
WIKIPEDIA
DICLOFENAC
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY
MERCK INDEX
m4361
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY Merck Index
EVMPD
SUB07092MIG
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
PRIMARY
ECHA (EC/EINECS)
239-348-5
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
PRIMARY
PUBCHEM
3033
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY
CHEBI
47381
Created by admin on Fri Dec 15 15:42:54 UTC 2023 , Edited by admin on Fri Dec 15 15:42:54 UTC 2023
PRIMARY
IUPHAR
2714
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY
NCI_THESAURUS
C28985
Created by admin on Fri Dec 15 15:42:55 UTC 2023 , Edited by admin on Fri Dec 15 15:42:55 UTC 2023
PRIMARY
Related Record Type Details
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 2B7
METABOLIC ENZYME -> INHIBITOR
POTENT
OAT-4
TRANSPORTER -> INHIBITOR
COX-2
TARGET -> INHIBITOR
IC50
CYTOCHROME P450 2C9
METABOLIC ENZYME -> SUBSTRATE
COX-1
TARGET -> INHIBITOR
IC50
Structure of DICLOFENAC CALCIUM
SALT/SOLVATE -> PARENT
Structure of DICLOFENAC DIETHYLAMINE
SALT/SOLVATE -> PARENT
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 2B7
METABOLIC ENZYME -> SUBSTRATE
Highly polymorphic enzyme responsible for differential response. Gene is deleted in 90% of Japanese patients leading to a dose reduction.
OAT-3
TRANSPORTER -> INHIBITOR
OAT-1
TRANSPORTER -> INHIBITOR
Structure of DICLOFENAC POTASSIUM
SALT/SOLVATE -> PARENT
Structure of DICLOFENAC SODIUM
SALT/SOLVATE -> PARENT
Structure of DICLOFENAC EPOLAMINE
SALT/SOLVATE -> PARENT
OAT-2
TRANSPORTER -> INHIBITOR
Related Record Type Details
Structure of 4',5-DIHYDROXYDICLOFENAC
METABOLITE -> PARENT
MINOR
Structure of 5-HYDROXYDICLOFENAC
METABOLITE -> PARENT
CYP3A4 is responsible for the formation of minor metabolites, 5-hydroxy and 3'-hydroxy-diclofenac
MINOR
Structure of Diclofenac 2,5-Quinone Imine
METABOLITE TOXIC -> PARENT
Bioactivation of DF via 5-hydroxylation might be toxicologically more important than that via 40-hydroxylation, based on the fact that 5-OH-DF and DF-2,5-QI appeared to stimulate immune reactions. Not isolated but inferred from GSH reaction.
MINOR
Structure of 3'-HYDROXYDICLOFENAC
METABOLITE -> PARENT
CYP3A4 is responsible for the formation of minor metabolites, 5-hydroxy and 3'-hydroxy-diclofenac
MINOR
DICLOFENAC ETALHYALURONATE SODIUM
PRODRUG -> METABOLITE ACTIVE
Structure of DICLOFENAC GLUCURONIDE
METABOLITE -> PARENT
Structure of 4'-HYDROXYDICLOFENAC
METABOLITE LESS ACTIVE -> PARENT
MAJOR
Structure of 3'-HYDROXY-4'-METHOXYDICLOFENAC
METABOLITE -> PARENT
MINOR
Structure of Diclofenac-1',4'-quinone imine
METABOLITE -> PARENT
Related Record Type Details
Structure of ACECLOFENAC
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of DICLOFENAC
ACTIVE MOIETY
NIH
NCATS
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ACCESSIBILITY
DISCLAIMER
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