Dataset

Loperamide

This MassBank record with Accession MSBNK-Waters-WA001424 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-WA001424
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:47:15.149504
MetadataModified 2024-01-11T22:47:15.333605
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
902064 eMolecules
MCULE-3957783776 Mcule
3955 PubChem
J10.085D Nikkaji
PIPBUA CCDC
7215 Guide to Pharmacology
14809921 PubChem: Thomson Pharma
PD009698 ProbesDrugs
6X9OC3H4II FDA SRS
LSM-3365 LINCS
53179-11-6 ACToR
SCHEMBL28530 SureChEMBL
DTXSID6045165 EPA CompTox Dashboard
1599 DrugCentral
ZINC000000537928 ZINC
50017698 BindingDB
LOPERAMIDE DailyMed
LOPERAMIDE HYDROCHLORIDE rxnorm
LOPERAMIDE HYDROCHLORIDE clinicaltrials
IMODIUM rxnorm
LOPERAMIDE rxnorm
IMODIUM clinicaltrials
R 18,553 clinicaltrials
R-18553 clinicaltrials
LOPERAMIDE clinicaltrials
IMODIUM ADVANCED rxnorm
CB7402928 ChemicalBook
145057 Brenda
PA450262 PharmGKB
6844 Brenda
loperamide DailyMed
145971 Brenda
HMDB0004999 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.