Dataset

Flecainide

This MassBank record with Accession MSBNK-Waters-WA000821 contains the MS mass spectrum of Flecainide with the InChIkey DJBNUMBKLMJRSA-UHFFFAOYSA-N.

InChI	InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)
SMILES	C(C2)CNC(C2)CNC(=O)c(c1)c(OCC(F)(F)F)ccc(OCC(F)(F)F)1
InChI Key	DJBNUMBKLMJRSA-UHFFFAOYSA-N
Molecular Formula	C17H20F6N2O3
Exact Mass	414.138 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-WA000821
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:35.144654
MetadataModified	2024-01-11T22:49:35.325090
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
3356	PubChem
PD009747	ProbesDrugs
LSM-1297	LINCS
14879920	PubChem: Thomson Pharma
SCHEMBL14970	SureChEMBL
PA449646	PharmGKB
54143-55-4	ACToR
CB0663265	ChemicalBook
flecainide	DailyMed
HMDB0015326	Human Metabolome Database
MolPort-003-847-380	MolPort
C07001	KEGG Ligand
2560	Guide to Pharmacology
DB01195	DrugBank
CHEMBL652	ChEMBL
901891	eMolecules
75984	ChEBI
MCULE-3327347453	Mcule
J399.065F	Nikkaji
J399.064H	Nikkaji
J12.413C	Nikkaji
50131434	BindingDB
FLECAINIDE	DailyMed
TAMBOCOR	rxnorm
FLECAINIDE	rxnorm
FLECAINIDE ACETATE	rxnorm
1176	DrugCentral
FLECAINIDE ACETATE	clinicaltrials
TAMBOCOR	clinicaltrials
K94FTS1806	FDA SRS
DTXSID8023054	EPA CompTox Dashboard
FLECAINIDE	clinicaltrials
The data in this table is sourced from UniChem at EBI.