Dataset

Bendroflumethiazide

This MassBank record with Accession MSBNK-Waters-WA001808 contains the MS mass spectrum of Bendroflumethiazide with the InChIkey HDWIHXWEUNVBIY-UHFFFAOYSA-N.

Chemical Info

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

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001808
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:40:59.437904
MetadataModified	2025-02-09T20:21:56.091629
MetadataPublished	2016-01-19
Related Molecule

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
MCULE-7811865125	Mcule
DTXSID5022647	EPA CompTox Dashboard
305	DrugCentral
7122	Guide to Pharmacology
J1.428A	Nikkaji
BENDROFLUMETHIAZIDE	DailyMed
PD001076	ProbesDrugs
LSM-1816	LINCS
14758277	PubChem: Thomson Pharma
PA448563	PharmGKB
73-48-3	ACToR
535245	eMolecules
bendroflumethiazide	DailyMed
CB3233276	ChemicalBook
50643	Brenda
HMDB0014580	Human Metabolome Database
SCHEMBL26016	SureChEMBL
2315	PubChem
The data in this table is sourced from UniChem at EBI.