Dataset

Tioclomarol

This MassBank record with Accession MSBNK-Waters-WA002586 contains the MS mass spectrum of Tioclomarol with the InChIkey WRGOVNKNTPWHLZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2
SMILES Clc(c4)ccc(c4)C(O)CC(c(c3)sc(Cl)c3)C(C(=O)1)=C(O)c(c2)c(ccc2)O1
InChI Key WRGOVNKNTPWHLZ-UHFFFAOYSA-N
Molecular Formula C22H16Cl2O4S
Exact Mass 446.015 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-WA002586
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:35.497323
MetadataModified 2024-01-11T22:49:35.647678
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL43646 SureChEMBL
14759704 PubChem: Thomson Pharma
PD072476 ProbesDrugs
22619-35-8 ACToR
CHEMBL2105401 ChEMBL
DTXSID80875354 EPA CompTox Dashboard
DB13451 DrugBank
E5B7C16LFK FDA SRS
2674 DrugCentral
J11.490A Nikkaji
TIOCLOMAROL rxnorm
135730 ChEBI
54708299 PubChem
The data in this table is sourced from UniChem at EBI.