CHEBI:71545 - 2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane

ChEBI IDCHEBI:71545
ChEBI Name2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane
Stars
ASCII Name2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane
DefinitionAn aromatic ketone that is norbornane with 2-endo-amino, 2-exo-benzoyl and 3-exo-phenyl substituents.
Last Modified7 November 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H21NO
Net Charge0
Average Mass291.394
Monoisotopic Mass291.16231
SMILESN[C@]1(C(=O)c2ccccc2)[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1
InChIKeyXJQDTOANLAPEIM-JRBPQWBISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane (CHEBI:71545) has parent hydride norbornane (CHEBI:71546)
2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane (CHEBI:71545) has role epitope (CHEBI:53000)
2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane (CHEBI:71545) is a aromatic ketone (CHEBI:76224)
2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane (CHEBI:71545) is a primary amino compound (CHEBI:50994)
IUPAC Name 
[(1R,2R,3S,4S)-2-amino-3-phenylbicyclo[2.2.1]hept-2-yl](phenyl)methanone
Synonym  Source
(1R,2R,3S,4S)-2-benzoyl-3-phenylbicyclo[2.2.1]heptan-2-amineDrugBank
Manual XrefsDatabases
DB07883DrugBank
Citations