Catuabine C
[(1R,3R,5S,6R)-8-methyl-3-(1H-pyrrole-2-carbonyloxy)-8-azabicyclo[3.2.1]octan-6-yl] 1-methylpyrrole-2-carboxylate
Also Known As: CATUABINE C|(1R,3R,5S,6R)-8-Methyl-3-[(1H-pyrrole-2-carbonyl)oxy]-8-azabicyclo[3.2.1]octan-6-yl 1-methyl-1H-pyrrole-2-carboxylate|[(1R,3R,5S,6R)-8-methyl-3-(1H-pyrrole-2-carbonyloxy)-8-azabicyclo[3.2.1]octan-6-yl] 1-methylpyrrole-2-carboxylate|1H-Pyrrole-2-carboxylic acid, 1-methyl-,(1R,3R,5S,6R)-8-methyl-3-((1H-pyrrol-2-ylcarbonyl)oxy)-8-azabicyclo(3.2.1)oct-6-yl ester, rel-|8-Methyl-3-[(1H-pyrrole-2-carbonyl)oxy]-8-azabicyclo[3.2.1]octan-6-yl 1-methyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C19H23N3O4 |
|---|---|
| Molecular Weight | 357.16885 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.16885 |
| Monoisotopic Mass | 357.16885 |
| Heavy Atoms | 26 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 65862-80-8 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)O[C@@H]2C[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)C4=CC=CN4 |
| InChIKey | CQFDQVJNCUORBW-UTJXIGIESA-N |
Product Overview
Catuabine C (CAS 65862-80-8), with molecular formula C19H23N3O4 and molecular weight 357.16885 g/mol. IUPAC: [(1R,3R,5S,6R)-8-methyl-3-(1H-pyrrole-2-carbonyloxy)-8-azabicyclo[3.2.1]octan-6-yl] 1-methylpyrrole-2-carboxylate.
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