Benzoyl Ecgonine
cas: 519-09-5 — see every product listed under this CAS number, including other names
Benzoyl Ecgonine (CAS 519-09-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.
| brand | Chemat Brand |
|---|---|
| catalog number | RM-B270400 |
| cas | 519-09-5 |
| size | on request |
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Available pack sizes
| brand | size | price | |
|---|---|---|---|
| Chemat Brand | on request | price on request |
properties
| purity | No data |
|---|---|
| delivery time | To be confirmed by Chemat |
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