Dataset

Naftidrofuryl

This MassBank record with Accession MSBNK-Waters-WA002647 contains the MS mass spectrum of Naftidrofuryl with the InChIkey KBAFPSLPKGSANY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3
SMILES	CCN(CC)CCOC(=O)C(CC(C3)OCC3)Cc(c1)c(c2)c(ccc2)cc1
InChI Key	KBAFPSLPKGSANY-UHFFFAOYSA-N
Molecular Formula	C24H33NO3
Exact Mass	383.246 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002647
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:44:40.941933
MetadataModified	2024-01-11T22:44:41.105609
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1620794	ChEMBL
1870	DrugCentral
DTXSID3023344	EPA CompTox Dashboard
91817	ChEBI
42H8PQ0NMJ	FDA SRS
HMDB0255425	Human Metabolome Database
50347133	BindingDB
J20.371H	Nikkaji
NAFRONYL	rxnorm
MCULE-6455560665	Mcule
PD013143	ProbesDrugs
LSM-1730	LINCS
4417	PubChem
SCHEMBL34062	SureChEMBL
14853734	PubChem: Thomson Pharma
31329-57-4	ACToR
1988070	eMolecules
DB13588	DrugBank
CB7759257	ChemicalBook
The data in this table is sourced from UniChem at EBI.