Dataset

Droperidol

This MassBank record with Accession MSBNK-Waters-WA000414 contains the MS mass spectrum of Droperidol with the InChIkey RMEDXOLNCUSCGS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
SMILES Fc(c4)ccc(c4)C(=O)CCCN(C3)CC=C(C3)N(C(=O)1)c(c2)c(ccc2)N1
InChI Key RMEDXOLNCUSCGS-UHFFFAOYSA-N
Molecular Formula C22H22FN3O2
Exact Mass 379.170 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000414
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:55.709320
MetadataModified 2024-01-11T22:48:55.868536
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
966 DrugCentral
ZINC000019796080 ZINC
50017705 BindingDB
DROPERIDOL DailyMed
DROPERIDOL rxnorm
INAPSINE clinicaltrials
DROPERIDOL clinicaltrials
DROLEPTAN clinicaltrials
HY-B1240 MedChemExpress
USS PDBe
DTXSID6022973 EPA CompTox Dashboard
HMDB0014593 Human Metabolome Database
CB9145418 ChemicalBook
droperidol DailyMed
217393 Brenda
3168 PubChem
PD001512 ProbesDrugs
O9U0F09D5X FDA SRS
14780048 PubChem: Thomson Pharma
548-73-2 ACToR
PA449422 PharmGKB
LSM-4193 LINCS
7172 Guide to Pharmacology
J26.622A Nikkaji
GIXXOB CCDC
SCHEMBL41426 SureChEMBL
CHEMBL1108 ChEMBL
4717 ChEBI
SAM001247013 NIH Clinical Collection
DB00450 DrugBank
536929 eMolecules
The data in this table is sourced from UniChem at EBI.