Dataset

Flupentixol

This MassBank record with Accession MSBNK-Waters-WA002117 contains the MS mass spectrum of Flupentixol with the InChIkey NJMYODHXAKYRHW-DVZOWYKESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-
SMILES OCCN(C4)CCN(C4)CCC=C(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1
InChI Key NJMYODHXAKYRHW-DVZOWYKESA-N
Molecular Formula C23H25F3N2OS
Exact Mass 434.164 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-WA002117
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:42.280561
MetadataModified 2024-01-11T22:46:42.445865
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD050297 ProbesDrugs
FA0UYH6QUO FDA SRS
5281881 PubChem
2709-56-0 ACToR
14807748 PubChem: Thomson Pharma
53772-82-0 ACToR
J10.870G Nikkaji
SCHEMBL34200 SureChEMBL
FLPNTX CCDC
151908 Brenda
38545 Brenda
DB00875 DrugBank
LSM-43011 LINCS
ZINC000029489118 ZINC
79172 BindingDB
FLUPENTIXOL clinicaltrials
10454 ChEBI
DTXSID9046310 EPA CompTox Dashboard
C11191 KEGG Ligand
CHEMBL54661 ChEMBL
948 Guide to Pharmacology
The data in this table is sourced from UniChem at EBI.