Dataset

Chlorthalidone

This MassBank record with Accession MSBNK-Waters-WA001143 contains the MS mass spectrum of Chlorthalidone with the InChIkey JIVPVXMEBJLZRO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
SMILES	O=C(N1)c(c3)c(ccc3)C(O)1c(c2)cc(c(Cl)c2)S(N)(=O)=O
InChI Key	JIVPVXMEBJLZRO-UHFFFAOYSA-N
Molecular Formula	C14H11ClN2O4S
Exact Mass	338.013 g/mol

Data and Resources

ChlorthalidoneHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001143
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:45:42.992548
MetadataModified	2024-01-11T22:45:43.138093
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14924761	PubChem: Thomson Pharma
chlorthalidone-chlortalidone	Selleck
PA448970	PharmGKB
77-36-1	ACToR
2732	PubChem
PD002421	ProbesDrugs
LSM-1417	LINCS
SCHEMBL26234	SureChEMBL
7147	Guide to Pharmacology
MCULE-6661021422	Mcule
J1.476A	Nikkaji
CB3233539	ChemicalBook
HMDB0014455	Human Metabolome Database
chlorthalidone	DailyMed
5949	Brenda
25900	BindingDB
CHLORTHALIDONE	DailyMed
CHLORTHALIDONE	rxnorm
THALITONE	clinicaltrials
CHLORTHALIDONE	clinicaltrials
625	DrugCentral
CHLORTALIDONE	clinicaltrials
HY-15833	MedChemExpress
Q0MQD1073Q	FDA SRS
DTXSID4022812	EPA CompTox Dashboard
HYGROTON	clinicaltrials
3654	ChEBI
DB00310	DrugBank
SAM002589983	NIH Clinical Collection
CHEMBL1055	ChEMBL
535944	eMolecules
The data in this table is sourced from UniChem at EBI.