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
594579 eMolecules
20207532 NMRShiftDB
SCHEMBL34750 SureChEMBL
BUFCOU CCDC
J11.205D Nikkaji
14753076 PubChem: Thomson Pharma
5467 PubChem
PD013238 ProbesDrugs
LSM-5676 LINCS
51012-32-9 ACToR
LAH70H9JPH FDA SRS
ZINC000001542927 ZINC
82073 BindingDB
TIAPRIDE rxnorm
TIAPRIDAL clinicaltrials
TIAPRIDE HYDROCHLORIDE clinicaltrials
TIAPRIDE clinicaltrials
94666 ChEBI
MCULE-5546780960 Mcule
DTXSID0023664 EPA CompTox Dashboard
2651 DrugCentral
DB13025 DrugBank
75629 Brenda
HMDB0042039 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.