Dataset

Trimetazidine

This MassBank record with Accession MSBNK-Waters-WA002144 contains the MS 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	COc(c2)c(OC)c(OC)c(c2)CN(C1)CCNC1
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-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002144
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:47:41.798713
MetadataModified	2024-01-11T22:47:41.953980
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL203266	ChEMBL
846657	eMolecules
HY-B0968A	MedChemExpress
TRIMETAZIDINE	clinicaltrials
TRIMETAZIDINE	rxnorm
80613	BindingDB
ZINC000019358638	ZINC
2750	DrugCentral
94789	ChEBI
DTXSID2048531	EPA CompTox Dashboard
DB09069	DrugBank
143789	Brenda
CB4126777	ChemicalBook
J8.797A	Nikkaji
MCULE-9820869946	Mcule
HMDB0259235	Human Metabolome Database
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
The data in this table is sourced from UniChem at EBI.