Dataset

Buflomedil

This MassBank record with Accession MSBNK-Waters-WA000936 contains the MS mass spectrum of Buflomedil with the InChIkey OWYLAEYXIQKAOL-UHFFFAOYSA-N.

InChI	InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3
SMILES	COc(c1)cc(OC)c(C(=O)CCCN(C2)CCC2)c(OC)1
InChI Key	OWYLAEYXIQKAOL-UHFFFAOYSA-N
Molecular Formula	C17H25NO4
Exact Mass	307.178 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-WA000936
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:45:32.744759
MetadataModified	2025-02-09T20:27:44.875201
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000000005191	ZINC
50170664	BindingDB
BUFLOMEDIL	rxnorm
BUFLOMEDIL	clinicaltrials
94538	ChEBI
MCULE-5840092627	Mcule
DTXSID5022697	EPA CompTox Dashboard
422	DrugCentral
J11.045K	Nikkaji
HMDB0249429	Human Metabolome Database
DB13510	DrugBank
CB8675435	ChemicalBook
CHEMBL188921	ChEMBL
SCHEMBL150905	SureChEMBL
14776428	PubChem: Thomson Pharma
2467	PubChem
55837-25-7	ACToR
V7I71DQ432	FDA SRS
LSM-5365	LINCS
PD013131	ProbesDrugs
The data in this table is sourced from UniChem at EBI.