Products 519-09-5
CAS 519-09-5 appears in our catalog under these names: Benzoyl Ecgonine, Benzoyl Ecgonine, >95% (HPLC), Benzoylecgonine, Benzoylecgonine 0.1 mg/ml in Methanol, Benzoylecgonine 1.0 mg/ml in Methanol. Offered by: Chemat Brand, TRC, Mikromol, Lipomed, LoGiCal. Available pack sizes: on request, 250mg, 25mg, 50mg, 100mg, 10mg, 1ml, 10x1ml.
Ecgonine benzoate is a benzoate ester metabolite of cocaine formed by hydrolysis of the methyl ester group, catalysed by carboxylesterases. It has a role as an epitope, a plant metabolite, a human xenobiotic metabolite and a marine xenobiotic metabolite. It is a benzoate ester and a tropane alkaloid. It is functionally related to an ecgonine.
Source: ChEBI
| Molecular formula | C16H19NO4 |
|---|---|
| Molecular weight | 289.33 g/mol |
| IUPAC name | (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid |
| InChIKey | GVGYEFKIHJTNQZ-RFQIPJPRSA-N |
| SMILES | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O |
Computed by PubChem (NCBI)
Synonyms:
benzoylecgonine, Ecgonine benzoate, (-)-Benzoylecgonine, o-Benzoyl-(-)-ecgonine, benzoyl ecgonine, (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid, (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid, (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid, (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azoniabicyclo(3.2.1)octane-2-carboxylate, O-Benzoylecgonine