Dataset

Amiloride

This MassBank record with Accession MSBNK-Waters-WA001195 contains the MS mass spectrum of Amiloride with the InChIkey XSDQTOBWRPYKKA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
SMILES NC(=N)NC(=O)c(n1)c(N)nc(N)c(Cl)1
InChI Key XSDQTOBWRPYKKA-UHFFFAOYSA-N
Molecular Formula C6H8ClN7O
Exact Mass 229.048 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-WA001195
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:36:29.810495
MetadataModified 2025-02-09T20:23:33.973304
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB00594 DrugBank
2421 Guide to Pharmacology
CHEMBL945 ChEMBL
2639 ChEBI
AMR PDBe
C06821 KEGG Ligand
CB7146512 ChemicalBook
AMILORIDE DailyMed
AMILORIDE HYDROCHLORIDE rxnorm
MIDAMOR rxnorm
AMILORIDE rxnorm
MIDAMOR clinicaltrials
16173 BindingDB
AMILORIDE HYDROCHLORIDE clinicaltrials
HY-B0285 MedChemExpress
5517 Brenda
DTXSID9043853 EPA CompTox Dashboard
158 DrugCentral
J9.514A Nikkaji
AMILORIDE clinicaltrials
PD009902 ProbesDrugs
7DZO8EB0Z3 FDA SRS
LSM-4194 LINCS
14798141 PubChem: Thomson Pharma
SCHEMBL27562 SureChEMBL
PA448368 PharmGKB
2609-46-3 ACToR
1934607 eMolecules
201692 Brenda
HMDB0014732 Human Metabolome Database
amiloride DailyMed
ZINC000004340269 ZINC
16231 PubChem
MCULE-5948863568 Mcule
The data in this table is sourced from UniChem at EBI.