Dataset

Domperidone

This MassBank record with Accession MSBNK-Waters-WA000835 contains the MS 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 Clc(c5)cc(N1)c(c5)N(C(C2)CCN(CCCN(C(=O)3)c(c4)c(ccc4)N3)C2)C(=O)1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000835
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:23.313153
MetadataModified 2024-01-11T22:49:23.465679
MetadataPublished 2016-01-19
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
50241107 BindingDB
DOMPERIDONE rxnorm
DOMPERIDONE clinicaltrials
MOTILIUM clinicaltrials
R 33,812 clinicaltrials
HY-B0411 MedChemExpress
OFILEW CCDC
DTXSID1045116 EPA CompTox Dashboard
945 DrugCentral
ZINC000004175569 ZINC
J3.199B Nikkaji
R-33812 clinicaltrials
14856268 PubChem: Thomson Pharma
Domperidone(Motilium) Selleck
PA134711056 PharmGKB
57808-66-9 ACToR
SCHEMBL43729 SureChEMBL
LSM-2850 LINCS
5587267Z69 FDA SRS
CIN-102 clinicaltrials
DEUDOMPERIDONE clinicaltrials
PD000066 ProbesDrugs
HMDB0015315 Human Metabolome Database
CB8699080 ChemicalBook
34577 Brenda
MCULE-4430288884 Mcule
3151 PubChem
31515 ChEBI
536844 eMolecules
The data in this table is sourced from UniChem at EBI.