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

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ChEBI Name	*2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane*

ChEBI ID	CHEBI:71545

ChEBI ASCII Name	2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane

Definition	An aromatic ketone that is norbornane with 2-endo-amino, 2-exo-benzoyl and 3-exo-phenyl substituents.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C20H21NO

Net Charge

Average Mass

291.38680

Monoisotopic Mass

291.16231

InChI

InChI=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

InChIKey

XJQDTOANLAPEIM-JRBPQWBISA-N

SMILES

N[C@@]1([C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)C(=O)c1ccccc1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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	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-amine	DrugBank

Citation	Type	Source
11724535	PubMed citation	Europe PMC

Last Modified

07 November 2013