Dataset

Piretanide

This MassBank record with Accession MSBNK-Waters-WA000705 contains the MS mass spectrum of Piretanide with the InChIkey UJEWTUDSLQGTOA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)
SMILES OC(=O)c(c1)cc(S(N)(=O)=O)c(Oc(c3)cccc3)c1N(C2)CCC2
InChI Key UJEWTUDSLQGTOA-UHFFFAOYSA-N
Molecular Formula C17H18N2O5S
Exact Mass 362.094 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-WA000705
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:39.350272
MetadataModified 2024-01-11T22:50:39.547910
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL349803 ChEMBL
DB02925 DrugBank
12013328 PubChem: Drugs of the Future
31593228 eMolecules
PD007951 ProbesDrugs
DQ6KK6GV93 FDA SRS
14876908 PubChem: Thomson Pharma
55837-27-9 ACToR
LSM-3959 LINCS
56888 Brenda
CB4142755 ChemicalBook
4742 Guide to Pharmacology
4849 PubChem
J3.520C Nikkaji
HMDB0256593 Human Metabolome Database
SCHEMBL49473 SureChEMBL
ZINC000003812930 ZINC
32015 ChEBI
2201 DrugCentral
PIRETANIDE rxnorm
50240046 BindingDB
DTXSID2023488 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.