Dataset

Tiapride

This MassBank record with Accession MSBNK-Waters-WA002162 contains the MS mass spectrum of Tiapride with the InChIkey JTVPZMFULRWINT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
SMILES CCN(CC)CCNC(=O)c(c(OC)1)cc(cc1)S(C)(=O)=O
InChI Key JTVPZMFULRWINT-UHFFFAOYSA-N
Molecular Formula C15H24N2O4S
Exact Mass 328.146 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-WA002162
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:40.101253
MetadataModified 2024-01-11T22:50:40.276743
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL84158 ChEMBL
TIAPRIDE rxnorm
TIAPRIDAL clinicaltrials
TIAPRIDE HYDROCHLORIDE clinicaltrials
TIAPRIDE clinicaltrials
MCULE-5546780960 Mcule
94666 ChEBI
82073 BindingDB
DB13025 DrugBank
2651 DrugCentral
ZINC000001542927 ZINC
J11.205D Nikkaji
BUFCOU CCDC
DTXSID0023664 EPA CompTox Dashboard
5467 PubChem
SCHEMBL34750 SureChEMBL
20207532 NMRShiftDB
594579 eMolecules
HMDB0042039 Human Metabolome Database
75629 Brenda
14753076 PubChem: Thomson Pharma
PD013238 ProbesDrugs
LSM-5676 LINCS
51012-32-9 ACToR
LAH70H9JPH FDA SRS
The data in this table is sourced from UniChem at EBI.