CHEBI:135730 - tioclomarol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tioclomarol
ChEBI ID CHEBI:135730
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H16Cl2O4S
Net Charge 0
Average Mass 447.333
Monoisotopic Mass 446.01464
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
InChIKey WRGOVNKNTPWHLZ-UHFFFAOYSA-N
SMILES C(CC(O)C1=CC=C(C=C1)Cl)(C2=C(O)C=3C(OC2=O)=CC=CC3)C=4SC(=CC4)Cl
ChEBI Ontology
Outgoing tioclomarol (CHEBI:135730) is a hydroxycoumarin (CHEBI:37912)
Synonym Source
apegmone DrugCentral
Manual Xref Database
2674 DrugCentral
View more database links
Registry Number Type Source
22619-35-8 CAS Registry Number DrugCentral
Last Modified
23 February 2017