Diclofenac sodiumProduct ingredient for Diclofenac

Name
Diclofenac sodium
Drug Entry
Diclofenac

A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.

Accession Number
DBSALT000466
Structure
Thumb
Synonyms
Not Available
UNII
QTG126297Q
CAS Number
15307-79-6
Weight
Average: 318.13
Monoisotopic: 316.998628658
Chemical Formula
C14H10Cl2NNaO2
InChI Key
KPHWPUGNDIVLNH-UHFFFAOYSA-M
InChI
InChI=1S/C14H11Cl2NO2.Na/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);/q;+1/p-1
IUPAC Name
sodium 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate
SMILES
[Na+].[O-]C(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl
External Links
PubChem Compound
5018304
ChemSpider
25309
ChEBI
4509
ChEMBL
CHEMBL1034
Wikipedia
Diclofenac
Predicted Properties
PropertyValueSource
Water Solubility0.00482 mg/mLALOGPS
logP4.75ALOGPS
logP4.26ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)4ChemAxon
pKa (Strongest Basic)-2.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area52.16 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity86.3 m3·mol-1ChemAxon
Polarizability27.62 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon