Dataset

Pimozide

This MassBank record with Accession MSBNK-Waters-WA002191 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-WA002191
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:01.889915
MetadataModified 2024-01-11T22:48:02.050512
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14882544 PubChem: Thomson Pharma
PA450965 PharmGKB
16362 PubChem
2062-78-4 ACToR
LSM-2001 LINCS
1HIZ4DL86F FDA SRS
PD001879 ProbesDrugs
1II PDBe
J3.698F Nikkaji
MCULE-9624510567 Mcule
SCHEMBL41584 SureChEMBL
DTXSID8023474 EPA CompTox Dashboard
2172 DrugCentral
ZINC000004175630 ZINC
50334150 BindingDB
HY-12987 MedChemExpress
PIMOZIDE rxnorm
ORAP rxnorm
PIMOZIDE clinicaltrials
R-6238 clinicaltrials
PIMOZIDE DailyMed
72164 Brenda
220067 Brenda
CB7290660 ChemicalBook
pimozide DailyMed
HMDB0015232 Human Metabolome Database
593283 eMolecules
CHEMBL1423 ChEMBL
8212 ChEBI
90 Guide to Pharmacology
12013418 PubChem: Drugs of the Future
DB01100 DrugBank
C07566 KEGG Ligand
The data in this table is sourced from UniChem at EBI.