Dataset

Celiprolol

This MassBank record with Accession MSBNK-Waters-WA001946 contains the MS mass spectrum of Celiprolol with the InChIkey JOATXPAWOHTVSZ-UHFFFAOYSA-N.

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

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001946
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:30:04.753638
MetadataModified	2025-02-09T20:27:51.937013
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
2663	PubChem
ACER-002	clinicaltrials
ACER002	clinicaltrials
PD009361	ProbesDrugs
LSM-5187	LINCS
56980-93-9	ACToR
SCHEMBL49415	SureChEMBL
14853525	PubChem: Thomson Pharma
50470842	BindingDB
CELIPROLOL HYDROCHLORIDE	rxnorm
CELIPROLOL	rxnorm
CELIPROLOL	clinicaltrials
CELIPROLOL HYDROCHLORIDE	clinicaltrials
SELECTOL	clinicaltrials
J246.148J	Nikkaji
DB04846	DrugBank
9064	Guide to Pharmacology
94461	ChEBI
DTXSID3020259	EPA CompTox Dashboard
569	DrugCentral
J11.825G	Nikkaji
DRB57K47QC	FDA SRS
CB8411567	ChemicalBook
CHEMBL27810	ChEMBL
The data in this table is sourced from UniChem at EBI.