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CHEBI:135444 - parapenzolate

ChEBI IDCHEBI:135444
ChEBI Nameparapenzolate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H26NO3
Net Charge+1
Average Mass340.443
Monoisotopic Mass340.19072
SMILESC[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26NO3/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,13-16H2,1-2H3/q+1
InChIKeyDMXLLYHBWUOZCZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
parapenzolate (CHEBI:135444) is a diarylmethane (CHEBI:51614)
Synonyms  Source
parapenzolate bromideDrugCentral
neupranDrugCentral
relanolDrugCentral
Manual XrefsDatabases
2062DrugCentral
Registry NumbersSources
CAS:5634-41-3DrugCentral