Dataset

Haloperidol

This MassBank record with Accession MSBNK-Athens_Univ-AU112202 contains the MS2 mass spectrum of Haloperidol with the InChIkey LNEPOXFFQSENCJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
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 c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
InChI Key LNEPOXFFQSENCJ-UHFFFAOYSA-N
Molecular Formula C21H23ClFNO2
Exact Mass 375.140 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU112202
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:46:41.688596
MetadataModified 2024-01-11T09:46:41.859696
MetadataPublished 2015-09-22
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HALOPERIDOL DailyMed
HALOPERIDOL LACTATE rxnorm
HALDOL rxnorm
HALOPERIDOL rxnorm
21398 BindingDB
HALDOL clinicaltrials
HALOPERIDOL clinicaltrials
HALOPERIDOL LACTATE clinicaltrials
HY-14538 MedChemExpress
ZINC000000537822 ZINC
DTXSID4034150 EPA CompTox Dashboard
MCULE-3693790133 Mcule
HALDOL CCDC
R-1625 clinicaltrials
1353 DrugCentral
CB72509133 ChemicalBook
CB32131152 ChemicalBook
GMJ PDBe
CB7774829 ChemicalBook
haloperidol DailyMed
3539 Brenda
75627 Brenda
78069 Brenda
HMDB0014645 Human Metabolome Database
PD002312 ProbesDrugs
haloperidol Atlas
J6292F8L3D FDA SRS
LSM-3512 LINCS
14902191 PubChem: Thomson Pharma
PA449841 PharmGKB
Haloperidol(Haldol) Selleck
52-86-8 ACToR
SCHEMBL8264 SureChEMBL
3559 PubChem
20207509 NMRShiftDB
J1.365J Nikkaji
538987 eMolecules
DB00502 DrugBank
12013409 PubChem: Drugs of the Future
C01814 KEGG Ligand
5613 ChEBI
86 Guide to Pharmacology
CHEMBL54 ChEMBL
The data in this table is sourced from UniChem at EBI.