DICLOFENAC EPOLAMINE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII X5F8EKL9ZG
EPA CompTox DTXSID80152531
Parent Compound: DICLOFENAC

Structure

InChI Key DCERVXIINVUMKU-UHFFFAOYSA-N
Smiles O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.OCCN1CCCC1
InChI
InChI=1S/C14H11Cl2NO2.C6H13NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;8-6-5-7-3-1-2-4-7/h1-7,17H,8H2,(H,18,19);8H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24Cl2N2O3
Molecular Weight 411.33
AlogP 4.36
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 49.33
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 19.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed Wikipedia

Target Conservation

Protein: Cyclooxygenase
Description: Prostaglandin G/H synthase 1
Organism : Homo sapiens
P23219 ENSG00000095303
Protein: Cyclooxygenase
Description: Prostaglandin G/H synthase 2
Organism : Homo sapiens
P35354 ENSG00000073756

Cross References

Resources Reference
ChEBI 48296
ChEMBL CHEMBL1201180
FDA SRS X5F8EKL9ZG
Guide to Pharmacology 2714
KEGG C01690
PDB DIF
PubChem 114753
SureChEMBL SCHEMBL1006944
ZINC ZINC00001281
CONTENTS