Propylbenzoylecgonine
propyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Propylbenzoylecgonine|Cocapropylene|Propylcocaine|Cocainepropylester|Cocaine propyl ester|Benzoylecgonine propyl ester|Benzoylecgonine propyl|Cocaine propyl ester hydrochloride|8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, propyl ester, (1R,2R,3S,5S)-|8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, propyl ester, (1R-(exo,exo))-|(1beta,2R,5beta)-2beta-Propoxycarbonyltropane-3beta-ol benzoate|Propyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate|propyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate|(1beta,5beta,8-anti)-3beta-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2beta-carboxylic acid propyl ester|(1R,2R,3S,5S)-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid propyl ester|8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, propyl ester, (1R,2R,3S,5S)-|8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, propyl ester, [1R-(exo,exo)]-|PROPYL (1R,2R,3S,5S)-3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE
| Molecular Formula | C19H25NO4 |
|---|---|
| Molecular Weight | 331.17834 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.17834 |
| Monoisotopic Mass | 331.17834 |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 64091-46-9 |
|---|---|
| SMILES | CCCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3 |
| InChIKey | VNLZTPINKMHMPX-VVLHAWIVSA-N |
Product Overview
Propylbenzoylecgonine (CAS 64091-46-9), with molecular formula C19H25NO4 and molecular weight 331.17834 g/mol. IUPAC: propyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.