Dataset

Zuclopenthixol

This MassBank record with Accession MSBNK-Waters-WA001872 contains the MS mass spectrum of Zuclopenthixol with the InChIkey WFPIAZLQTJBIFN-DVZOWYKESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-
SMILES OCCN(C4)CCN(C4)CCC=C(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
InChI Key WFPIAZLQTJBIFN-DVZOWYKESA-N
Molecular Formula C22H25ClN2OS
Exact Mass 400.138 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-WA001872
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:55.608210
MetadataModified 2024-01-11T22:49:55.772846
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB1875393 ChemicalBook
HMDB0015561 Human Metabolome Database
PA452629 PharmGKB
DB01624 DrugBank
DTXSID3048233 EPA CompTox Dashboard
7559 Guide to Pharmacology
2877 DrugCentral
ZINC000000601293 ZINC
79209 BindingDB
ZUCLOPENTHIXOL rxnorm
CLOPIXOL clinicaltrials
ZUCLOPENTHIXOL clinicaltrials
HY-A0163 MedChemExpress
LSM-42927 LINCS
CLPNXA CCDC
J32.497C Nikkaji
5311507 PubChem
PD009440 ProbesDrugs
14928248 PubChem: Thomson Pharma
53772-83-1 ACToR
SCHEMBL149463 SureChEMBL
47ISU063SG FDA SRS
CHEMBL53904 ChEMBL
51364 ChEBI
The data in this table is sourced from UniChem at EBI.