Dataset

Celiprolol

This MassBank record with Accession MSBNK-Waters-WA001942 contains the MS mass spectrum of Celiprolol with the InChIkey JOATXPAWOHTVSZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
SMILES CCN(CC)C(=O)Nc(c1)cc(C(C)=O)c(OCC(O)CNC(C)(C)C)c1
InChI Key JOATXPAWOHTVSZ-UHFFFAOYSA-N
Molecular Formula C20H33N3O4
Exact Mass 379.247 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-WA001942
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:02.752806
MetadataModified 2024-01-11T22:46:02.929348
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL27810 ChEMBL
CB8411567 ChemicalBook
569 DrugCentral
50470842 BindingDB
CELIPROLOL HYDROCHLORIDE rxnorm
CELIPROLOL rxnorm
CELIPROLOL clinicaltrials
DTXSID3020259 EPA CompTox Dashboard
SELECTOL clinicaltrials
DRB57K47QC FDA SRS
DB04846 DrugBank
9064 Guide to Pharmacology
94461 ChEBI
CELIPROLOL HYDROCHLORIDE clinicaltrials
2663 PubChem
ACER-002 clinicaltrials
ACER002 clinicaltrials
PD009361 ProbesDrugs
LSM-5187 LINCS
56980-93-9 ACToR
SCHEMBL49415 SureChEMBL
14853525 PubChem: Thomson Pharma
J11.825G Nikkaji
J246.148J Nikkaji
The data in this table is sourced from UniChem at EBI.