Dataset

Haloperidol

This MassBank record with Accession MSBNK-Waters-WA002251 contains the MS mass spectrum of Haloperidol with the InChIkey LNEPOXFFQSENCJ-UHFFFAOYSA-N.

InChI	InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
SMILES	Fc(c3)ccc(c3)C(=O)CCCN(C2)CCC(O)(C2)c(c1)ccc(Cl)c1
InChI Key	LNEPOXFFQSENCJ-UHFFFAOYSA-N
Molecular Formula	C21H23ClFNO2
Exact Mass	375.140 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002251
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:43:57.113135
MetadataModified	2025-02-09T20:21:19.837250
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
538987	eMolecules
PD002312	ProbesDrugs
haloperidol	Atlas
J6292F8L3D	FDA SRS
LSM-3512	LINCS
14902191	PubChem: Thomson Pharma
PA449841	PharmGKB
Haloperidol(Haldol)	Selleck
52-86-8	ACToR
75627	Brenda
78069	Brenda
CB32131152	ChemicalBook
GMJ	PDBe
CB7774829	ChemicalBook
haloperidol	DailyMed
3539	Brenda
HMDB0014645	Human Metabolome Database
3559	PubChem
20207509	NMRShiftDB
SCHEMBL8264	SureChEMBL
CB72509133	ChemicalBook
1353	DrugCentral
HALDOL	CCDC
R-1625	clinicaltrials
HALOPERIDOL	rxnorm
21398	BindingDB
HALDOL	rxnorm
HALOPERIDOL	DailyMed
DTXSID4034150	EPA CompTox Dashboard
MCULE-3693790133	Mcule
HALOPERIDOL	clinicaltrials
J1.365J	Nikkaji
HALOPERIDOL LACTATE	clinicaltrials
HY-14538	MedChemExpress
HALOPERIDOL LACTATE	rxnorm
ZINC000000537822	ZINC
HALDOL	clinicaltrials
CHEMBL54	ChEMBL
DB00502	DrugBank
12013409	PubChem: Drugs of the Future
C01814	KEGG Ligand
86	Guide to Pharmacology
5613	ChEBI
The data in this table is sourced from UniChem at EBI.