Dataset

Buclizine; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001958 contains the MS mass spectrum of Buclizine with the InChIkey MOYGZHXDRJNJEP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3
SMILES C(C3)N(CCN(Cc(c4)ccc(c4)C(C)(C)C)3)C(c(c2)cccc2)c(c1)ccc(c1)Cl
InChI Key MOYGZHXDRJNJEP-UHFFFAOYSA-N
Molecular Formula C28H33ClN2
Exact Mass 432.233 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-WA001958
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MetadataPublished 2016-01-19
Related Molecule
  • 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C07777 KEGG Ligand
    DB00354 DrugBank
    3205 ChEBI
    CHEMBL1201271 ChEMBL
    CB9111794 ChemicalBook
    0C94V6X681 FDA SRS
    DTXSID0022694 EPA CompTox Dashboard
    416 DrugCentral
    J4.623J Nikkaji
    7134 Guide to Pharmacology
    BUCLIZINE HYDROCHLORIDE rxnorm
    BUCLIZINE rxnorm
    UFN4445AF2 FDA SRS
    1178B2VD9B FDA SRS
    HMDB0014498 Human Metabolome Database
    SCHEMBL27855 SureChEMBL
    6729 PubChem
    PD010084 ProbesDrugs
    82-95-1 ACToR
    PA164748223 PharmGKB
    14982780 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.