Dataset

Meclofenamic acid

This MassBank record with Accession MSBNK-Waters-WA001764 contains the MS mass spectrum of Meclofenamic acid with the InChIkey SBDNJUWAMKYJOX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
SMILES	OC(=O)c(c2)c(ccc2)Nc(c(Cl)1)c(Cl)c(C)cc1
InChI Key	SBDNJUWAMKYJOX-UHFFFAOYSA-N
Molecular Formula	C14H11Cl2NO2
Exact Mass	295.017 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001764
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:48:55.302847
MetadataModified	2024-01-11T22:48:55.485809
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL509	ChEMBL
DB00939	DrugBank
C07117	KEGG Ligand
5753451	eMolecules
6710	ChEBI
20032692	NMRShiftDB
MECLOF	CCDC
7219	Guide to Pharmacology
4037	PubChem
PD009630	ProbesDrugs
48I5LU4ZWD	FDA SRS
JMS	PDBe
14800267	PubChem: Thomson Pharma
644-62-2	ACToR
SCHEMBL106	SureChEMBL
LSM-3108	LINCS
J7.065C	Nikkaji
PA450341	PharmGKB
5993	Brenda
HMDB0015074	Human Metabolome Database
CB7875562	ChemicalBook
14076	Brenda
22971	BindingDB
MECLOFENAMIC ACID	DailyMed
MECLOFENAMATE SODIUM	rxnorm
MECLOFENAMIC ACID	rxnorm
MECLOFENAMATE	rxnorm
ZINC000000001655	ZINC
MECLOFENAMIC ACID	clinicaltrials
MECLOFENAMATE SODIUM	clinicaltrials
HY-117275	MedChemExpress
DTXSID0048559	EPA CompTox Dashboard
1650	DrugCentral
MECLOMEN	clinicaltrials
The data in this table is sourced from UniChem at EBI.