Dataset

Pipotiazine (oxide)

This MassBank record with Accession MSBNK-Waters-WA002040 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-WA002040
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:14.145690
MetadataModified 2025-02-09T20:11:33.783248
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL398880 ChEMBL
DB01621 DrugBank
DTXSID40192913 EPA CompTox Dashboard
7557 Guide to Pharmacology
J16.029F Nikkaji
81798 BindingDB
CB9875298 ChemicalBook
PIPOTHIAZINE rxnorm
14883233 PubChem: Thomson Pharma
PA10158 PharmGKB
39860-99-6 ACToR
L903J9JPYV FDA SRS
PD009443 ProbesDrugs
62867 PubChem
SCHEMBL123275 SureChEMBL
ZINC000003813024 ZINC
HMDB0015558 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.