8-Hydroxynorcocaine
Basic information
- CAS
72182-43-5- Standard SMILES
COC(=O)C1C(OC(=O)c2ccccc2)CC2CC[C@H]1N2O- InChIKey
NETRAGHALNKERF-DBBXXEFVSA-N- Molecular formula
- C16H19NO5
- Average molar mass
- 305.32 g/mol
- Monoisotopic mass
- 305.12632271
Overview
N-Hydroxynorcocaine is a benzoate ester.
Names & identifiers
- Preferred name
- 8-Hydroxynorcocaine
- IUPAC
- methyl (1R)-3-benzoyloxy-8-hydroxy-8-azabicyclo[3.2.1]octane-2-carboxylate
Names & synonyms
8-HydroxynorcocaineRefChem:107191methyl (1R)-3-benzoyloxy-8-hydroxy-8-azabicyclo[3.2.1]octane-2-carboxylateSCHEMBL29943536CHEBI:1927338-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-hydroxy-, methyl ester, (1R-(exo,exo))-
Database identifiers
- CAS
72182-43-5- PubChem CID
- 155707
- ChEBI
CHEBI:192733
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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