Benzoyltropein
Basic information
- CAS
16052-34-9- Standard SMILES
CN1C2CCC1CC(OC(=O)c1ccccc1)C2- InChIKey
XQJMXPAEFMWDOZ-UHFFFAOYSA-N- Molecular formula
- C15H19NO2
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.14157885
Overview
Tropacocaine is a benzoate ester.
Names & identifiers
- Preferred name
- Benzoyltropein
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate
- English name
- 8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-, 3-benzoate
- Molecular formula
- C15H19NO2
- Molecular weight
- 245.31686
Names & synonyms
Benzoyltropein(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate(8-methyl-8-azabicyclo(3.2.1)octan-3-yl) benzoateRefChem:107939316052-34-9Atropine Impurity 17BenzoyltropineTropacocain19145-60-98-Methyl-8-azabicyclo[3.2.1]oct-3-yl benzoate8-Methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, benzoate, exo-
Show more names
8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-, 3-benzoate
1-.alpha.-H,5-.alpha.-H-Tropan-3-.beta.-ol, benzoateEINECS 208-662-4BRN 0084408.psi.-Tropine benzoateChemDiv2_000862BENZOYL TROPEIN HCLOprea1_114608Oprea1_351398
Database identifiers
- CAS
16052-34-9- PubChem CID
- 10834
- DTXSID
DTXSID70871749- ChEBI
CHEBI:9755
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Chemistry & industry
Additional notes
DefinitionChEBI: Tropacocaine is a benzoate ester.
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Related reactions
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Compound notes
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