Dataset

Domperidone

This MassBank record with Accession MSBNK-Athens_Univ-AU273904 contains the MS2 mass spectrum of Domperidone with the InChIkey FGXWKSZFVQUSTL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
SMILES ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2
InChI Key FGXWKSZFVQUSTL-UHFFFAOYSA-N
Molecular Formula C22H24ClN5O2
Exact Mass 425.162 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU273904
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:52:22.238398
MetadataModified 2025-02-08T19:08:45.642616
MetadataPublished 2019-05-30
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL219916 ChEMBL
965 Guide to Pharmacology
12013334 PubChem: Drugs of the Future
DB01184 DrugBank
OFILEW CCDC
J3.199B Nikkaji
945 DrugCentral
DTXSID1045116 EPA CompTox Dashboard
HY-B0411 MedChemExpress
MOTILIUM clinicaltrials
DOMPERIDONE clinicaltrials
R 33,812 clinicaltrials
R-33812 clinicaltrials
DOMPERIDONE rxnorm
50241107 BindingDB
ZINC000004175569 ZINC
CB8699080 ChemicalBook
HMDB0015315 Human Metabolome Database
34577 Brenda
31515 ChEBI
3151 PubChem
MCULE-4430288884 Mcule
57808-66-9 ACToR
SCHEMBL43729 SureChEMBL
LSM-2850 LINCS
5587267Z69 FDA SRS
CIN-102 clinicaltrials
DEUDOMPERIDONE clinicaltrials
PD000066 ProbesDrugs
14856268 PubChem: Thomson Pharma
Domperidone(Motilium) Selleck
PA134711056 PharmGKB
536844 eMolecules
The data in this table is sourced from UniChem at EBI.