Dataset

Pipotiazine (oxide)

This MassBank record with Accession MSBNK-Waters-WA002041 contains the MS mass spectrum of Pipotiazine (oxide) with the InChIkey JOMHSQGEWSNUKU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3
SMILES OCCC(C4)CCN(C4)CCCN(c21)c(c3)c(ccc3S(=O)(=O)N(C)C)Sc(cccc2)1
InChI Key JOMHSQGEWSNUKU-UHFFFAOYSA-N
Molecular Formula C24H33N3O3S2
Exact Mass 475.196 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-WA002041
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:08.757713
MetadataModified 2024-01-11T22:50:08.918347
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL398880 ChEMBL
DB01621 DrugBank
62867 PubChem
PD009443 ProbesDrugs
L903J9JPYV FDA SRS
14883233 PubChem: Thomson Pharma
PA10158 PharmGKB
39860-99-6 ACToR
HMDB0015558 Human Metabolome Database
81798 BindingDB
SCHEMBL123275 SureChEMBL
7557 Guide to Pharmacology
J16.029F Nikkaji
ZINC000003813024 ZINC
DTXSID40192913 EPA CompTox Dashboard
CB9875298 ChemicalBook
PIPOTHIAZINE rxnorm
The data in this table is sourced from UniChem at EBI.