Dataset

Loperamide; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA001427 contains the MS mass spectrum of Loperamide with the InChIkey RDOIQAHITMMDAJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
SMILES C(C3)N(CCC3(O)c(c4)ccc(c4)Cl)CCC(C(N(C)C)=O)(c(c2)cccc2)c(c1)cccc1
InChI Key RDOIQAHITMMDAJ-UHFFFAOYSA-N
Molecular Formula C29H33ClN2O2
Exact Mass 476.223 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-WA001427
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00836 drugbank
    CHEBI:6532 chebi
    A1CMV rcsb_pdb
    CHEMBL841 chembl
    28530 surechembl
    3955 pubchem
    6X9OC3H4II fdasrs
    A1CMV pdbe
    7215 gtopdb
    PD009698 probes_and_drugs
    PIPBUA CCDC
    145057 brenda
    145971 brenda
    6844 brenda
    HMDB0004999 hmdb
    Molport-001-969-016 molport
    1599 drugcentral
    50017698 bindingdb
    The data in this table is sourced from UniChem at EBI.