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CHEBI:135547 - pitofenone

ChEBI IDCHEBI:135547
ChEBI Namepitofenone
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC22H25NO4
Net Charge0
Average Mass367.445
Monoisotopic Mass367.17836
SMILESCOC(=O)c1ccccc1C(=O)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C22H25NO4/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKeyNZHMAQSCHUSSSJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
pitofenone (CHEBI:135547) is a benzophenones (CHEBI:22726)
Synonyms  Source
pitofenone hydrochlorideDrugCentral
pitofenone HClDrugCentral
pitophenonDrugCentral
Manual XrefsDatabases
2215DrugCentral
Registry NumbersSources
CAS:54063-52-4DrugCentral