CHEBI:135334 - pyrrobutamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pyrrobutamine
ChEBI ID CHEBI:135334
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H22ClN
Net Charge 0
Average Mass 311.849
Monoisotopic Mass 311.14408
InChI InChI=1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2
InChIKey WDYYVNNRTDZKAZ-UHFFFAOYSA-N
SMILES C(CC1=CC=C(C=C1)Cl)(=CCN2CCCC2)C3=CC=CC=C3
ChEBI Ontology
Outgoing pyrrobutamine (CHEBI:135334) is a stilbenoid (CHEBI:26776)
Synonyms Sources
pyronil DrugCentral
pyrrobutamine diphosphate DrugCentral
pyrrobutamine phosphate DrugCentral
Manual Xref Database
2334 DrugCentral
View more database links
Registry Number Type Source
91-82-7 CAS Registry Number DrugCentral
Last Modified
23 February 2017