Dataset

Althiazide

This MassBank record with Accession MSBNK-Waters-WA001755 contains the MS mass spectrum of Althiazide with the InChIkey VGLGVJVUHYTIIU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)
SMILES C=CCSCC(N1)NS(=O)(=O)c(c2)c1cc(Cl)c2S(N)(=O)=O
InChI Key VGLGVJVUHYTIIU-UHFFFAOYSA-N
Molecular Formula C11H14ClN3O4S3
Exact Mass 382.983 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-WA001755
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:44:42.303215
MetadataModified 2025-02-09T20:21:38.575815
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL599870 ChEMBL
ALTHIAZIDE rxnorm
HMDB0248261 Human Metabolome Database
JI3ZO158IN FDA SRS
GI8CB72B0D FDA SRS
D9KLS88BLV FDA SRS
140 DrugCentral
91768 ChEBI
J8.012H Nikkaji
DTXSID3045857 EPA CompTox Dashboard
2122 PubChem
PD001578 ProbesDrugs
15028888 PubChem: Thomson Pharma
5588-16-9 ACToR
LSM-1654 LINCS
33507150 eMolecules
SCHEMBL124525 SureChEMBL
The data in this table is sourced from UniChem at EBI.