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CHEBI:760946 - cocaethylene(1+)
| Formula | C18H24NO4 |
| Net Charge | +1 |
| Average Mass | 318.393 |
| Monoisotopic Mass | 318.16998 |
| SMILES | [H][C@]12CC[C@]([H])([C@@H](C(=O)OCC)[C@@H](OC(=O)c3ccccc3)C1)[NH+]2C |
| InChI | InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/p+1/t13-,14+,15-,16+/m0/s1 |
| InChIKey | NMPOSNRHZIWLLL-XUWVNRHRSA-O |
| Roles Classification |
|---|
| Biological Roles: | 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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| 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) |
| cocaethylene(1+) (CHEBI:760946) has role dopamine uptake inhibitor (CHEBI:51039) |
| cocaethylene(1+) (CHEBI:760946) is a benzoate ester (CHEBI:36054) |
| cocaethylene(1+) (CHEBI:760946) is a ethyl ester (CHEBI:23990) |
| cocaethylene(1+) (CHEBI:760946) is a tropane alkaloid (CHEBI:37332) |
| cocaethylene(1+) (CHEBI:760946) is conjugate acid of Cocaethylene (CHEBI:174315) |
| Synonyms | Source |
|---|---|
| ethylcocaine | SUBMITTER |
| homocaine | SUBMITTER |
| homococaine | SUBMITTER |
| UniProt Name | Source |
|---|---|
| cocaethylene | UniProt |