Dataset

Bemetizide

This MassBank record with Accession MSBNK-Waters-WA001810 contains the MS mass spectrum of Bemetizide with the InChIkey PYVUMAGVCSQCBD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H16ClN3O4S2/c1-9(10-5-3-2-4-6-10)15-18-12-7-11(16)13(24(17,20)21)8-14(12)25(22,23)19-15/h2-9,15,18-19H,1H3,(H2,17,20,21)
SMILES c(c3)ccc(c3)C(C)C(N1)NS(=O)(=O)c(c2)c(cc(Cl)c2S(N)(=O)=O)1
InChI Key PYVUMAGVCSQCBD-UHFFFAOYSA-N
Molecular Formula C15H16ClN3O4S2
Exact Mass 401.027 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-WA001810
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:30:03.243466
MetadataModified 2025-02-09T20:20:56.913941
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
72070 PubChem
J7.785B Nikkaji
135640 ChEBI
297 DrugCentral
EZN4D2O31B FDA SRS
DEHYDROSANOL rxnorm
SCHEMBL564338 SureChEMBL
1824-52-8 ACToR
CHEMBL2104003 ChEMBL
PD072314 ProbesDrugs
15475376 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.