1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, 2-chloro-6-methylcarbanilate (ester)
Basic information
- CAS
26390-09-0- Standard SMILES
COC(=O)[C@H]1[C@@H](OC(=O)Nc2c(C)cccc2Cl)C[C@H]2CC[C@@H]1N2C- InChIKey
NEHKWWYKJPWAIL-UQOMUDLDSA-N- Molecular formula
- C18H23ClN2O4
- Average molar mass
- 366.8 g/mol
- Monoisotopic mass
- 366.1346349
Names & identifiers
- Preferred name
- 1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, 2-chloro-6-methylcarbanilate (ester)
- IUPAC
- methyl (1S,2R,3S,5R)-3-[(2-chloro-6-methylphenyl)carbamoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Names & synonyms
26390-09-01-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, 2-chloro-6-methylcarbanilate (ester)RefChem:227440DTXSID80949281Methyl (1S,2R,3S,5R)-3-{[(2-chloro-6-methylphenyl)imino](hydroxy)methoxy}-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylateMethyl 3-{[(2-chloro-6-methylphenyl)imino](hydroxy)methoxy}-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Database identifiers
- CAS
26390-09-0- PubChem CID
- 213466
- DTXSID
DTXSID80949281
Properties
Computed structural properties
- XLogP
- 3
- 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
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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