Dataset

Hydrochlorothiazide

This MassBank record with Accession MSBNK-Waters-WA000336 contains the MS mass spectrum of Hydrochlorothiazide with the InChIkey JZUFKLXOESDKRF-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
SMILES	Clc(c2)c(cc(c12)S(=O)(=O)NCN1)S(N)(=O)=O
InChI Key	JZUFKLXOESDKRF-UHFFFAOYSA-N
Molecular Formula	C7H8ClN3O4S2
Exact Mass	296.964 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-WA000336
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:40:00.961774
MetadataModified	2025-02-09T20:20:16.740975
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
197373	Brenda
3163	Brenda
153401	Brenda
HMDB0001928	Human Metabolome Database
CB5383966	ChemicalBook
hydrochlorothiazide	DailyMed
ZINC000000896569	ZINC
154385	Brenda
MCULE-6585933943	Mcule
SCHEMBL9349	SureChEMBL
125727-50-6	ACToR
0J48LPH2TH	FDA SRS
LSM-5308	LINCS
PD002304	ProbesDrugs
14873640	PubChem: Thomson Pharma
PA449899	PharmGKB
58-93-5	ACToR
3639	PubChem
Hydrochlorothiazide	Selleck
539058	eMolecules
HCZ	PDBe
C07041	KEGG Ligand
DB00999	DrugBank
CHEMBL435	ChEMBL
SAM002554901	NIH Clinical Collection
LOTENSIN HCT	rxnorm
1385	DrugCentral
DTXSID2020713	EPA CompTox Dashboard
HY-B0252	MedChemExpress
ORETIC	clinicaltrials
ESIDREX	clinicaltrials
HYDROCHLOROTHIAZIDE	clinicaltrials
HYDRO-D	clinicaltrials
HYDRODIURIL	clinicaltrials
MICROZIDE	clinicaltrials
ESIDRIX	clinicaltrials
HYDROCHLOROTHIAZIDE	rxnorm
MICROZIDE	rxnorm
13076	BindingDB
HYDROCHLOROTHIAZIDE	DailyMed
BANPAK	CCDC
5778	ChEBI
J1.920H	Nikkaji
4836	Guide to Pharmacology
CB31564779	ChemicalBook
The data in this table is sourced from UniChem at EBI.