Dataset

Trimetazidine

This MassBank record with Accession MSBNK-Eawag-EQ01072403 contains the MS2 mass spectrum of Trimetazidine with the InChIkey UHWVSEOVJBQKBE-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
SMILES	COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC
InChI Key	UHWVSEOVJBQKBE-UHFFFAOYSA-N
Molecular Formula	C14H22N2O3
Exact Mass	266.163 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01072403
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:28:59.159928
MetadataModified	2025-02-09T09:28:59.350078
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
21109	PubChem
14799141	PubChem: Thomson Pharma
PD009144	ProbesDrugs
DILATAN	clinicaltrials
5011-34-7	ACToR
TRIMETAZIDINE HYDROCHLORIDE	clinicaltrials
N9A0A0R9S8	FDA SRS
LSM-5938	LINCS
SCHEMBL230374	SureChEMBL
TRIMETAZIDINE DIHYDROCHLORIDE	clinicaltrials
846657	eMolecules
ZINC000019358638	ZINC
CB4126777	ChemicalBook
143789	Brenda
MCULE-9820869946	Mcule
TRIMETAZIDINE	rxnorm
TRIMETAZIDINE	clinicaltrials
HY-B0968A	MedChemExpress
DB09069	DrugBank
80613	BindingDB
DTXSID2048531	EPA CompTox Dashboard
2750	DrugCentral
J8.797A	Nikkaji
HMDB0259235	Human Metabolome Database
94789	ChEBI
CHEMBL203266	ChEMBL
The data in this table is sourced from UniChem at EBI.