Dataset

Betaxolol

This MassBank record with Accession MSBNK-Waters-WA001969 contains the MS mass spectrum of Betaxolol with the InChIkey NWIUTZDMDHAVTP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
SMILES CC(C)NCC(O)COc(c1)ccc(CCOCC(C2)C2)c1
InChI Key NWIUTZDMDHAVTP-UHFFFAOYSA-N
Molecular Formula C18H29NO3
Exact Mass 307.215 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-WA001969
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:43:17.171297
MetadataModified 2025-02-09T20:28:01.878188
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C06849 KEGG Ligand
DB00195 DrugBank
CHEMBL423 ChEMBL
KERLONE rxnorm
BETAXOLOL DailyMed
BETAXOLOL HYDROCHLORIDE rxnorm
BETOPTIC S rxnorm
BETAXOLOL rxnorm
KERLONE clinicaltrials
BETAXOLOL clinicaltrials
BETAXOLOL HYDROCHLORIDE clinicaltrials
BETOPTIC clinicaltrials
ALO-1401-02 clinicaltrials
ALO-140102 clinicaltrials
HY-B0381 MedChemExpress
O0ZR1R6RZ2 FDA SRS
DTXSID2022674 EPA CompTox Dashboard
356 DrugCentral
J19.271F Nikkaji
ROKNUB CCDC
50405521 BindingDB
549 Guide to Pharmacology
3082 ChEBI
CB1134548 ChemicalBook
PA448611 PharmGKB
betaxolol DailyMed
HMDB0014341 Human Metabolome Database
SCHEMBL23530 SureChEMBL
betaxolol-betoptic Selleck
14776435 PubChem: Thomson Pharma
LSM-1255 LINCS
2369 PubChem
63659-18-7 ACToR
PD010175 ProbesDrugs
The data in this table is sourced from UniChem at EBI.