Dataset

Bendroflumethiazide

This MassBank record with Accession MSBNK-Waters-WA001809 contains the MS mass spectrum of Bendroflumethiazide with the InChIkey HDWIHXWEUNVBIY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)
SMILES c(c3)ccc(c3)CC(N1)NS(=O)(=O)c(c2)c1cc(C(F)(F)F)c2S(N)(=O)=O
InChI Key HDWIHXWEUNVBIY-UHFFFAOYSA-N
Molecular Formula C15H14F3N3O4S2
Exact Mass 421.038 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-WA001809
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:45:55.820043
MetadataModified 2024-01-11T22:45:56.011641
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SAM002264598 NIH Clinical Collection
DB00436 DrugBank
C07758 KEGG Ligand
CHEMBL1684 ChEMBL
3013 ChEBI
50238678 BindingDB
BENDROFLUMETHIAZIDE rxnorm
BENDROFLUMETHIAZIDE clinicaltrials
NATURETIN clinicaltrials
5Q52X6ICJI FDA SRS
7122 Guide to Pharmacology
J1.428A Nikkaji
BENDROFLUMETHIAZIDE DailyMed
MCULE-7811865125 Mcule
DTXSID5022647 EPA CompTox Dashboard
305 DrugCentral
PA448563 PharmGKB
73-48-3 ACToR
LSM-1816 LINCS
14758277 PubChem: Thomson Pharma
PD001076 ProbesDrugs
SCHEMBL26016 SureChEMBL
2315 PubChem
HMDB0014580 Human Metabolome Database
50643 Brenda
CB3233276 ChemicalBook
bendroflumethiazide DailyMed
535245 eMolecules
The data in this table is sourced from UniChem at EBI.