Dataset

Diclofenac

This MassBank record with Accession MSBNK-Waters-WA001681 contains the MS mass spectrum of Diclofenac with the InChIkey DCOPUUMXTXDBNB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI 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)
SMILES OC(=O)Cc(c2)c(ccc2)Nc(c(Cl)1)c(Cl)ccc1
InChI Key DCOPUUMXTXDBNB-UHFFFAOYSA-N
Molecular Formula C14H11Cl2NO2
Exact Mass 295.017 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001681
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:30.896996
MetadataModified 2024-01-11T22:50:31.060872
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL139 ChEMBL
2714 Guide to Pharmacology
DIF PDBe
C01690 KEGG Ligand
865 DrugCentral
ZINC000000001281 ZINC
DICLOFENAC DailyMed
ARTHROTEC rxnorm
ZORVOLEX rxnorm
PENNSAID rxnorm
DICLOFENAC POTASSIUM rxnorm
ZIPSOR rxnorm
VOLTAREN rxnorm
LICART rxnorm
DICLOFENAC SODIUM rxnorm
DYLOJECT rxnorm
CATAFLAM rxnorm
SOLARAZE rxnorm
DICLOFENAC EPOLAMINE rxnorm
CAMBIA rxnorm
FLECTOR rxnorm
DICLOFENAC rxnorm
DICLOFENAC clinicaltrials
DICLOFENAC EPOLAMINE clinicaltrials
DICLOFENAC POTASSIUM clinicaltrials
DICLOFENAC SODIUM clinicaltrials
CAMBIA clinicaltrials
FLECTOR clinicaltrials
PENNSAID clinicaltrials
ABITREN clinicaltrials
VOLTAREN clinicaltrials
DYLOJECT clinicaltrials
SOLARAZE clinicaltrials
NOVAPIRINA clinicaltrials
LAS-41007 clinicaltrials
LAS41007 clinicaltrials
CATAFLAM clinicaltrials
HY-15036 MedChemExpress
ZIPSOR clinicaltrials
DTXSID6022923 EPA CompTox Dashboard
SCHEMBL2799 SureChEMBL
20242371 NMRShiftDB
J8.557J Nikkaji
SIKLIH CCDC
13066 BindingDB
3033 PubChem
47381 ChEBI
MCULE-1824024270 Mcule
901753 eMolecules
153432 Brenda
69451 Brenda
154422 Brenda
DB00586 DrugBank
HMDB0014724 Human Metabolome Database
diclofenac DailyMed
CB5225367 ChemicalBook
PD009905 ProbesDrugs
LICART clinicaltrials
diclofenac Atlas
14873560 PubChem: Thomson Pharma
LSM-2160 LINCS
15307-86-5 ACToR
PA449293 PharmGKB
144O8QL0L1 FDA SRS
The data in this table is sourced from UniChem at EBI.