Basic information
- CAS
26390-04-5- Standard SMILES
COC(=O)[C@@H]1[C@@H](OC(=O)Nc2c(C)cccc2C)C[C@H]2CC[C@@H]1N2C- InChIKey
CLGLNSPUISIESR-UGUYLWEFSA-N- Molecular formula
- C19H26N2O4
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.18925731
Names & identifiers
- Preferred name
- 1-alpha-H,5-alpha-H-Tropane-2-alpha-carboxylic acid, 3-beta-hydroxy-, methyl ester, 2,6-dimethylcarbanilate (ester)
- IUPAC
- methyl (1S,2S,3S,5R)-3-[(2,6-dimethylphenyl)carbamoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Names & synonyms
26390-04-51-alpha-H,5-alpha-H-Tropane-2-alpha-carboxylic acid, 3-beta-hydroxy-, methyl ester, 2,6-dimethylcarbanilate (ester)RefChem:227436DTXSID20949280Methyl (1S,2S,3S,5R)-3-{[(2,6-dimethylphenyl)imino](hydroxy)methoxy}-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylateMethyl 3-{[(2,6-dimethylphenyl)imino](hydroxy)methoxy}-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Database identifiers
- CAS
26390-04-5- PubChem CID
- 213465
- DTXSID
DTXSID20949280
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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