Dataset

Hydroxychloroquine

This MassBank record with Accession MSBNK-Eawag-EQ01043651 contains the MS2 mass spectrum of Hydroxychloroquine with the InChIkey XXSMGPRMXLTPCZ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
SMILES	CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
InChI Key	XXSMGPRMXLTPCZ-UHFFFAOYSA-N
Molecular Formula	C18H26ClN3O
Exact Mass	335.176 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01043651
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:54:27.400889
MetadataModified	2025-02-09T09:54:27.561956
MetadataPublished	2024-06-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HYDROXYCHLOROQUINE	DailyMed
7198	Guide to Pharmacology
50467780	BindingDB
PLAQUENIL	rxnorm
HYDROXYCHLOROQUINE SULFATE	rxnorm
HYDROXYCHLOROQUINE	rxnorm
PLAQUENIL	clinicaltrials
PLAQUENIL SULFATE	clinicaltrials
OXIKLORIN	clinicaltrials
HYDROXYCHLOROQUINE	clinicaltrials
HYDROXYCHLOROQUINE SULFATE	clinicaltrials
QUENSYL	clinicaltrials
HY-W031727	MedChemExpress
239396	Brenda
4QWG6N8QKH	FDA SRS
DTXSID8023135	EPA CompTox Dashboard
1395	DrugCentral
J5.298A	Nikkaji
CB6866802	ChemicalBook
CHEMBL1535	ChEMBL
DB01611	DrugBank
C07043	KEGG Ligand
PA164777036	PharmGKB
38397	Brenda
hydroxychloroquine	DailyMed
HMDB0015549	Human Metabolome Database
MCULE-6282304706	Mcule
5801	ChEBI
3652	PubChem
PD009448	ProbesDrugs
14777730	PubChem: Thomson Pharma
LSM-5193	LINCS
118-42-3	ACToR
SCHEMBL8170	SureChEMBL
901965	eMolecules
The data in this table is sourced from UniChem at EBI.