DICLOFENAC EPOLAMINE

Search structure
Trade Names:
Synonyms:
Status: Approved (2007)
Entry Type: Small molecule
Molecule Category: Salt
UNII: X5F8EKL9ZG
Parent Compound: DICLOFENAC

Structure
InChI Key DCERVXIINVUMKU-UHFFFAOYSA-N
Smile 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

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatitis 1 D010195 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
21.61
Injury, poisoning and procedural complications
15.44
Skin and subcutaneous tissue disorders
9.22
Immune system disorders
8.29
Nervous system disorders
8.17
Gastrointestinal disorders
6.05
Musculoskeletal and connective tissue disorders
5.29
Vascular disorders
4.03
Product issues
3.75
Psychiatric disorders
3.03
Investigations
2.93
Cardiac disorders
2.79
Respiratory, thoracic and mediastinal disorders
2.45

Cross References

Resources Reference
ChEBI 48296
ChEMBL CHEMBL1201180
EPA CompTox DTXSID80152531
FDA SRS X5F8EKL9ZG
Guide to Pharmacology 2714
KEGG C01690
PDB DIF
PubChem 114753
SureChEMBL SCHEMBL1006944
ZINC ZINC00001281
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