Dataset

Propafenone

This MassBank record with Accession MSBNK-Athens_Univ-AU228506 contains the MS2 mass spectrum of Propafenone with the InChIkey JWHAUXFOSRPERK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
SMILES CCCNCC(COc1ccccc1C(=O)CCc2ccccc2)O
InChI Key JWHAUXFOSRPERK-UHFFFAOYSA-N
Molecular Formula C21H27NO3
Exact Mass 341.199 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU228506
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:00:56.476856
MetadataModified 2025-02-08T19:08:49.370305
MetadataPublished 2018-12-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL631 ChEMBL
SAM002564228 NIH Clinical Collection
C07381 KEGG Ligand
DB01182 DrugBank
229818 Brenda
50067133 BindingDB
PROPAFENONE DailyMed
PROPAFENONE HYDROCHLORIDE rxnorm
RYTHMOL rxnorm
PROPAFENONE rxnorm
RYTHMOL clinicaltrials
RYTHMOL SR clinicaltrials
PROPAFENONE HYDROCHLORIDE clinicaltrials
PROPAFENON HEXAL clinicaltrials
PROPAFENONE clinicaltrials
68IQX3T69U FDA SRS
SCHEMBL16730120 SureChEMBL
DTXSID9045184 EPA CompTox Dashboard
2291 DrugCentral
229819 Brenda
2561 Guide to Pharmacology
J12.333A Nikkaji
14900354 PubChem: Thomson Pharma
4932 PubChem
PD002872 ProbesDrugs
63619 ChEBI
Propafenone(Rytmonorm) Selleck
SCHEMBL27865 SureChEMBL
107300-59-4 ACToR
54063-53-5 ACToR
LSM-1416 LINCS
593585 eMolecules
CB2854418 ChemicalBook
propafenone DailyMed
122954 Brenda
HMDB0015313 Human Metabolome Database
PA451131 PharmGKB
CB2183169 ChemicalBook
MCULE-8776872379 Mcule
The data in this table is sourced from UniChem at EBI.