Dataset

Loperamide

This MassBank record with Accession MSBNK-Waters-WA001428 contains the MS mass spectrum of Loperamide with the InChIkey RDOIQAHITMMDAJ-UHFFFAOYSA-N.

Chemical Info

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
MetadataCreated 2024-01-11T22:50:35.072691
MetadataModified 2024-01-11T22:50:35.269580
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C07080 KEGG Ligand
CHEMBL841 ChEMBL
6532 ChEBI
DB00836 DrugBank
7215 Guide to Pharmacology
ZINC000000537928 ZINC
1599 DrugCentral
DTXSID6045165 EPA CompTox Dashboard
LOPERAMIDE HYDROCHLORIDE clinicaltrials
LOPERAMIDE clinicaltrials
R-18553 clinicaltrials
R 18,553 clinicaltrials
IMODIUM clinicaltrials
LOPERAMIDE rxnorm
IMODIUM rxnorm
IMODIUM ADVANCED rxnorm
LOPERAMIDE HYDROCHLORIDE rxnorm
LOPERAMIDE DailyMed
J10.085D Nikkaji
50017698 BindingDB
PIPBUA CCDC
CB7402928 ChemicalBook
HMDB0004999 Human Metabolome Database
loperamide DailyMed
145971 Brenda
145057 Brenda
6844 Brenda
PA450262 PharmGKB
14809921 PubChem: Thomson Pharma
PD009698 ProbesDrugs
6X9OC3H4II FDA SRS
SCHEMBL28530 SureChEMBL
53179-11-6 ACToR
LSM-3365 LINCS
3955 PubChem
MCULE-3957783776 Mcule
902064 eMolecules
The data in this table is sourced from UniChem at EBI.