Dataset

Aprindine

This MassBank record with Accession MSBNK-Waters-WA001826 contains the MS mass spectrum of Aprindine with the InChIkey NZLBHDRPUJLHCE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3
SMILES CCN(CC)CCCN(c(c3)cccc3)C(C1)Cc(c2)c(ccc2)1
InChI Key NZLBHDRPUJLHCE-UHFFFAOYSA-N
Molecular Formula C22H30N2
Exact Mass 322.241 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-WA001826
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:30:52.100835
MetadataModified 2025-02-09T20:21:14.506072
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1213033 ChEMBL
DB01429 DrugBank
ZINC000001420561 ZINC
J19.264C Nikkaji
APRINDINE HYDROCHLORIDE rxnorm
APRINDINE rxnorm
CB2875279 ChemicalBook
DTXSID3022615 EPA CompTox Dashboard
135370 ChEBI
231 DrugCentral
2218 PubChem
PD009497 ProbesDrugs
15494731 PubChem: Thomson Pharma
37640-71-4 ACToR
5Y48085P9Q FDA SRS
SCHEMBL34545 SureChEMBL
HMDB0015498 Human Metabolome Database
PA164764496 PharmGKB
The data in this table is sourced from UniChem at EBI.