Dataset

Loperamide; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA001428 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-WA001428
Version
Author
Maintainer
Language
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
    MCULE-3957783776 Mcule
    3955 PubChem
    loperamide DailyMed
    HMDB0004999 Human Metabolome Database
    145971 Brenda
    145057 Brenda
    6844 Brenda
    PA450262 PharmGKB
    14809921 PubChem: Thomson Pharma
    PD009698 ProbesDrugs
    6X9OC3H4II FDA SRS
    LSM-3365 LINCS
    53179-11-6 ACToR
    SCHEMBL28530 SureChEMBL
    902064 eMolecules
    C07080 KEGG Ligand
    CHEMBL841 ChEMBL
    6532 ChEBI
    DB00836 DrugBank
    LOPERAMIDE HYDROCHLORIDE clinicaltrials
    DTXSID6045165 EPA CompTox Dashboard
    J10.085D Nikkaji
    7215 Guide to Pharmacology
    ZINC000000537928 ZINC
    1599 DrugCentral
    LOPERAMIDE DailyMed
    IMODIUM ADVANCED rxnorm
    50017698 BindingDB
    IMODIUM rxnorm
    LOPERAMIDE rxnorm
    PIPBUA CCDC
    LOPERAMIDE HYDROCHLORIDE rxnorm
    IMODIUM clinicaltrials
    R 18,553 clinicaltrials
    R-18553 clinicaltrials
    LOPERAMIDE clinicaltrials
    CB7402928 ChemicalBook
    The data in this table is sourced from UniChem at EBI.