Dataset

Betaxolol; LC-ESI-Q; MS; POS; 60 V

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

Chemical Information

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
MetadataPublished 2016-01-19
Related Molecule
  • 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
    • 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.