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CHEBI:132896 - stephanthrine

ChEBI IDCHEBI:132896
ChEBI Namestephanthrine
Stars
DefinitionAn organic heterotetracyclic compound that is 2-(2H-phenanthro[3,4-d][1,3]dioxole in which the hydrogen at position 5 has been replaced by a 2-(dimethylamino)ethyl group.
Last Modified30 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC19H19NO2
Net Charge0
Average Mass293.366
Monoisotopic Mass293.14158
SMILESCN(C)CCc1cc2c(c3c1ccc1ccccc13)OCO2
InChIInChI=1S/C19H19NO2/c1-20(2)10-9-14-11-17-19(22-12-21-17)18-15-6-4-3-5-13(15)7-8-16(14)18/h3-8,11H,9-10,12H2,1-2H3
InChIKeyFXTBDJZGDJJCQU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
stephanthrine (CHEBI:132896) is a cyclic acetal (CHEBI:59770)
stephanthrine (CHEBI:132896) is a organic heterotetracyclic compound (CHEBI:38163)
stephanthrine (CHEBI:132896) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N,N-dimethyl-2-(2H-phenanthro[3,4-d][1,3]dioxol-5-yl)ethan-1-amine
Registry NumbersSources
Reaxys:284764Reaxys
CAS:22108-99-2ChemIDplus
Citations