Dataset

Trimebutine

This MassBank record with Accession MSBNK-Eawag-EQ01165008 contains the MS2 mass spectrum of Trimebutine with the InChIkey LORDFXWUHHSAQU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
SMILES CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C
InChI Key LORDFXWUHHSAQU-UHFFFAOYSA-N
Molecular Formula C22H29NO5
Exact Mass 387.205 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01165008
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:55:57.723117
MetadataModified 2025-02-09T09:55:57.933559
MetadataPublished 2024-01-16
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
TRIMEBUTINE rxnorm
83417 BindingDB
TRIMEBUTINA clinicaltrials
HY-B0380 MedChemExpress
9RKX7S7WFY FDA SRS
U4UUZ24TRB FDA SRS
QZ1OJ92E5R FDA SRS
DB09089 DrugBank
94458 ChEBI
DTXSID4023707 EPA CompTox Dashboard
2748 DrugCentral
J304.096H Nikkaji
J15.812G Nikkaji
J304.097F Nikkaji
HMDB0259230 Human Metabolome Database
TRIMEBUTINE clinicaltrials
594991 eMolecules
CHEMBL190044 ChEMBL
5573 PubChem
PD009062 ProbesDrugs
14878364 PubChem: Thomson Pharma
LSM-5182 LINCS
39133-31-8 ACToR
trimebutine Selleck
SCHEMBL25705 SureChEMBL
CB6305680 ChemicalBook
MCULE-9142367404 Mcule
The data in this table is sourced from UniChem at EBI.