Dataset

Bamifylline

This MassBank record with Accession MSBNK-Waters-WA001337 contains the MS mass spectrum of Bamifylline with the InChIkey VVUYEFBRTFASAH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3
SMILES OCCN(CC)CCn(c(Cc(c3)cccc3)2)c(C(=O)1)c(n2)N(C)C(=O)N(C)1
InChI Key VVUYEFBRTFASAH-UHFFFAOYSA-N
Molecular Formula C20H27N5O3
Exact Mass 385.211 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-WA001337
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:23.664873
MetadataModified 2024-01-11T22:49:23.836264
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16229 PubChem
SCHEMBL219043 SureChEMBL
PD014134 ProbesDrugs
CHEMBL2110760 ChEMBL
ZTY15D026H FDA SRS
14780423 PubChem: Thomson Pharma
2016-63-9 ACToR
DTXSID0022642 EPA CompTox Dashboard
BAMIFYLLINE rxnorm
HMDB0248858 Human Metabolome Database
J7.850F Nikkaji
BAMIFYLLINE HYDROCHLORIDE rxnorm
CB7103685 ChemicalBook
DB13203 DrugBank
ZINC000000608191 ZINC
135605 ChEBI
287 DrugCentral
The data in this table is sourced from UniChem at EBI.