Basic information
- CAS
672-21-9- Standard SMILES
Br.CN1[C@H]2CC(OC(=O)C(CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12- InChIKey
WTGQALLALWYDJH-JHCWSWNASA-N- Molecular formula
- C17H22BrNO4
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 383.07322
Names & identifiers
- Preferred name
- 9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl 3-hydroxy-2-phenylpropanoate--hydrogen bromide (1/1)
- IUPAC
- [(1S,2S,4R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate;hydrobromide
Names & synonyms
DTXSID20986312(1S,2R,4S,5S)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl 3-hydroxy-2-phenylpropanoate--hydrogen bromide (1/1)9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl 3-hydroxy-2-phenylpropanoate--hydrogen bromide (1/1)
Database identifiers
- CAS
672-21-9- PubChem CID
- 8240
- DTXSID
DTXSID20986312
Properties
Computed structural properties
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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