Dataset

Metoclopramide

This MassBank record with Accession MSBNK-Waters-WA001069 contains the MS mass spectrum of Metoclopramide with the InChIkey TTWJBBZEZQICBI-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
SMILES	CCN(CC)CCNC(=O)c(c1)c(OC)cc(N)c(Cl)1
InChI Key	TTWJBBZEZQICBI-UHFFFAOYSA-N
Molecular Formula	C14H22ClN3O2
Exact Mass	299.140 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-WA001069
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:38:45.975288
MetadataModified	2025-02-09T20:27:01.562297
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14873753	PubChem: Thomson Pharma
364-62-5	ACToR
LSM-3689	LINCS
L4YEB44I46	FDA SRS
GIMOTI	clinicaltrials
PD009947	ProbesDrugs
4168	PubChem
877442	eMolecules
metoclopramide	DailyMed
HMDB0015363	Human Metabolome Database
41127	Brenda
31546	Brenda
PA450475	PharmGKB
MCULE-8566255889	Mcule
SCHEMBL18629	SureChEMBL
CHEMBL86	ChEMBL
C07868	KEGG Ligand
DB01233	DrugBank
241	Guide to Pharmacology
107736	ChEBI
METOCLOPRAMIDE	rxnorm
METOCLOPRAMIDE	DailyMed
REGLAN	rxnorm
METOCLOPRAMIDE	clinicaltrials
METOCLOPRAMIDE HYDROCHLORIDE	clinicaltrials
METOZOLV ODT	clinicaltrials
MAXOLON	clinicaltrials
CLOPRA	clinicaltrials
REGLAN	clinicaltrials
METOCLOPRAMIDE HYDROCHLORIDE MONOHYDRATE	clinicaltrials
DTXSID6045169	EPA CompTox Dashboard
ZINC000001530716	ZINC
J2.037K	Nikkaji
METPRA	CCDC
48320	BindingDB
METOCLOPRAMIDE HYDROCHLORIDE	rxnorm
1782	DrugCentral
The data in this table is sourced from UniChem at EBI.