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CHEBI:135730 - tioclomarol

ChEBI IDCHEBI:135730
ChEBI Nametioclomarol
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC22H16Cl2O4S
Net Charge0
Average Mass447.339
Monoisotopic Mass446.01464
SMILESO=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(Cl)cc1)c1ccc(Cl)s1
InChIInChI=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
InChIKeyWRGOVNKNTPWHLZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
tioclomarol (CHEBI:135730) is a hydroxycoumarin (CHEBI:37912)
Synonym  Source
apegmoneDrugCentral
Manual XrefsDatabases
2674DrugCentral
Registry NumbersSources
CAS:22619-35-8DrugCentral