tropanyl 3,5-dimethylbenzoate (CHEBI:64142)

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ChEBI Name	tropanyl 3,5-dimethylbenzoate

ChEBI ID	CHEBI:64142

Definition	A tropane alkaloid that consists of tropine in which the hydrogen of the hydroxy function is substituted by a 3,5-dimethylbenzoyl group.

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

Supplier Information

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Formula

C17H23NO2

Net Charge

Average Mass

273.37000

Monoisotopic Mass

273.17288

InChI

InChI=1S/C17H23NO2/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3/h6-8,14-16H,4-5,9-10H2,1-3H3/t14-,15+,16+

InChIKey

HDDNYFLPWFSBLN-ZSHCYNCHSA-N

SMILES

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(C)cc(C)c1

Roles Classification
Biological Role(s):	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

Application(s):	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.

ChEBI Ontology
Outgoing	tropanyl 3,5-dimethylbenzoate (CHEBI:64142) has functional parent tropine (CHEBI:15884) tropanyl 3,5-dimethylbenzoate (CHEBI:64142) has role serotonergic antagonist (CHEBI:48279) tropanyl 3,5-dimethylbenzoate (CHEBI:64142) is a benzoate ester (CHEBI:36054) tropanyl 3,5-dimethylbenzoate (CHEBI:64142) is a tropane alkaloid (CHEBI:37332)

IUPAC Name

(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate

Last Modified

09 March 2012