CHEBI:31421 - Clorexolone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Clorexolone
ChEBI ID CHEBI:31421
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C14H17ClN2O3S
C14H17ClN2O3S
Net Charge 0
Average Mass 328.816
Monoisotopic Mass 328.06484
InChI InChI=1S/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)
InChIKey VPMWFZKOWULPGT-UHFFFAOYSA-N
SMILES O=C1C2=C(CN1C3CCCCC3)C=C(C(=C2)S(N)(=O)=O)Cl
ChEBI Ontology
Outgoing Clorexolone (CHEBI:31421) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
chlorexolone DrugCentral
clorexolon DrugCentral
Clorexolone KEGG COMPOUND
Manual Xrefs Databases
712 DrugCentral
D01436 KEGG DRUG
View more database links
Registry Number Type Source
2127-01-7 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017