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CHEBI:64142 - tropanyl 3,5-dimethylbenzoate

ChEBI IDCHEBI:64142
ChEBI Nametropanyl 3,5-dimethylbenzoate
Stars
DefinitionA tropane alkaloid that consists of tropine in which the hydrogen of the hydroxy function is substituted by a 3,5-dimethylbenzoyl group.
Last Modified9 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC17H23NO2
Net Charge0
Average Mass273.376
Monoisotopic Mass273.17288
SMILESCc1cc(C)cc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)N3C)c1
InChIInChI=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+
InChIKeyHDDNYFLPWFSBLN-ZSHCYNCHSA-N
Roles Classification
Biological Roles:
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.
Application:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
ChEBI Ontology
Outgoing Relation(s)
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
INNs  Source
tropanserinChemIDplus
tropanserinumChemIDplus
tropanserineChemIDplus
tropanserinaChemIDplus
Synonyms  Source
Tropyl 3,5-dimethylbenzoateChemIDplus
MDL 72222ChEBI
Registry NumbersSources
Reaxys:21043097Reaxys
CAS:85181-40-4ChemIDplus
Citations