Benzoyltropein
AlkaPlorer ID: AK010378
Synonym: 'Benzoyltropine', 'Tropacocaine', 'Tropacocain', 'Benzoyltropein', 'Pseudotropine benzoate', '3alpha-Benzoyloxytropane', '3beta-Benzoyloxytropane', 'O-Benzoyltropine', 'Benzoylpseudotropine'
IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate
Structure
SMILES: CN1[C@@H]2CC[C@H]1CC(OC(=O)C1=CC=CC=C1)C2
InChI: InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14?
InChIKey: XQJMXPAEFMWDOZ-PBWFPOADSA-N
Reference
Alkaloids of erythroxylum monogynum root-bark
PubChem CID: 637578
CAS: 19145-60-9
LOTUS: LTS0170248
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythroxylum cuneatum | Erythroxylum | Erythroxylaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 245.322
TPSA？: 29.54
MolLogP？: 2.4686000000000003
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|