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CHEBI:135781 - fentonium

ChEBI IDCHEBI:135781
ChEBI Namefentonium
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC31H34NO4
Net Charge+1
Average Mass484.616
Monoisotopic Mass484.24823
SMILESC[N+]1(CC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2
InChIInChI=1S/C31H34NO4/c1-32(20-30(34)25-14-12-23(13-15-25)22-8-4-2-5-9-22)26-16-17-27(32)19-28(18-26)36-31(35)29(21-33)24-10-6-3-7-11-24/h2-15,26-29,33H,16-21H2,1H3/q+1/t26-,27+,28+,29-,32?/m1/s1
InChIKeyCSYZZFNWCDOVIM-OCTNZTSRSA-N
ChEBI Ontology
Outgoing Relation(s)
fentonium (CHEBI:135781) is a aromatic ketone (CHEBI:76224)
Synonyms  Source
phenthonium bromideDrugCentral
phentonium bromideDrugCentral
phenthoniumDrugCentral
fentonium bromideDrugCentral
phentoniumDrugCentral
Manual XrefsDatabases
1167DrugCentral
Registry NumbersSources
CAS:5868-06-4DrugCentral