EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232619 - RTI-31

ChEBI IDCHEBI:232619
ChEBI NameRTI-31
Stars
DefinitionRTI-31 is a synthetic analog of cocaine.
SubmitterFlyBase
DownloadsMolfile
FormulaC16H20ClNO2
Net Charge0
Average Mass293.794
Monoisotopic Mass293.11826
SMILES[H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@@]([H])(c1ccc(Cl)cc1)C2
InChIInChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1
InChIKeyZEOHVQFWFVMPGM-YJNKXOJESA-N
Wikipedia
Roles Classification
Biological Role:
dopamine uptake inhibitor  A dopaminergic agent that blocks the transport of dopamine into axon terminals or into storage vesicles within terminals. Most of the adrenergic uptake inhibitors also inhibit dopamine uptake.
Application:
dopamine uptake inhibitor  A dopaminergic agent that blocks the transport of dopamine into axon terminals or into storage vesicles within terminals. Most of the adrenergic uptake inhibitors also inhibit dopamine uptake.
ChEBI Ontology
Outgoing Relation(s)
RTI-31 (CHEBI:232619) has role dopamine uptake inhibitor (CHEBI:51039)
RTI-31 (CHEBI:232619) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Synonyms  Source
Rti-COC 31SUBMITTER
3β-(4-chorophenyl)tropane-2β-carboxylic acid methyl ester tartrateSUBMITTER
Manual XrefsDatabases
https://en.wikipedia.org/wiki/RTI-31Wikipedia
Registry NumbersSources
CAS:130342-80-2SUBMITTER
Citations