Dataset

Aprindine

This MassBank record with Accession MSBNK-Waters-WA001824 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-WA001824
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:15.797248
MetadataModified 2024-01-11T22:46:15.958595
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1213033 ChEMBL
DB01429 DrugBank
2218 PubChem
PD009497 ProbesDrugs
15494731 PubChem: Thomson Pharma
37640-71-4 ACToR
5Y48085P9Q FDA SRS
SCHEMBL34545 SureChEMBL
J19.264C Nikkaji
ZINC000001420561 ZINC
APRINDINE rxnorm
APRINDINE HYDROCHLORIDE rxnorm
CB2875279 ChemicalBook
135370 ChEBI
DTXSID3022615 EPA CompTox Dashboard
231 DrugCentral
PA164764496 PharmGKB
HMDB0015498 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.