Dataset

Pimozide

This MassBank record with Accession MSBNK-Waters-WA002194 contains the MS mass spectrum of Pimozide with the InChIkey YVUQSNJEYSNKRX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
SMILES C(C1N(C(=O)5)c(c4)c(N5)ccc4)CN(CCCC(c(c3)ccc(c3)F)c(c2)ccc(c2)F)CC1
InChI Key YVUQSNJEYSNKRX-UHFFFAOYSA-N
Molecular Formula C28H29F2N3O
Exact Mass 461.228 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-WA002194
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:39:16.525268
MetadataModified 2025-02-09T20:22:50.671999
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
593283 eMolecules
14882544 PubChem: Thomson Pharma
PA450965 PharmGKB
16362 PubChem
2062-78-4 ACToR
LSM-2001 LINCS
1HIZ4DL86F FDA SRS
PD001879 ProbesDrugs
SCHEMBL41584 SureChEMBL
MCULE-9624510567 Mcule
220067 Brenda
ZINC000004175630 ZINC
72164 Brenda
HMDB0015232 Human Metabolome Database
pimozide DailyMed
CB7290660 ChemicalBook
DB01100 DrugBank
8212 ChEBI
C07566 KEGG Ligand
90 Guide to Pharmacology
CHEMBL1423 ChEMBL
12013418 PubChem: Drugs of the Future
50334150 BindingDB
PIMOZIDE DailyMed
PIMOZIDE rxnorm
ORAP rxnorm
PIMOZIDE clinicaltrials
1II PDBe
HY-12987 MedChemExpress
DTXSID8023474 EPA CompTox Dashboard
2172 DrugCentral
J3.698F Nikkaji
R-6238 clinicaltrials
The data in this table is sourced from UniChem at EBI.