Belladonninbisulfat-zusatz
1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate;sulfuric acid;hydrate
Also Known As: Belladonninbisulfat-zusatz|Belladonnine bisulfate monohydrate|Belladonninbisulfat-zusatz [German]|Belladonnin bis(hydrogensulfat)-1-wasser|1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, sulfate (1:1), monohydrate|1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalenedicarboxylate (ester), sulfate (1:1)|1-O-(8-methyl-8-azabicyclo(3.2.1)octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo(3.2.1)octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate;sulfuric acid;hydrate|1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate; sulfuric acid; hydrate|1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate;sulfuric acid;hydrate|1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalenedicarboxylate (ester), sulfate (1:1), monohydrate, stereoisomer|637-372-4|phenyl (8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 1-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)tetralin-1,4-dicarboxylate; sulfuric acid; hydrate|Sulfuric acid--4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-phenyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylate--water (1/1/1)
| Molecular Formula | C34H46N2O9S |
|---|---|
| Molecular Weight | 658.2924 g/mol |
| LogP | 3.9711 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 658.2924 |
| Monoisotopic Mass | 658.2924 |
| Heavy Atoms | 46 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 5908-89-4 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)C3(CCC(C4=CC=CC=C43)C(=O)OC5CC6CCC(C5)N6C)C(=O)OC7=CC=CC=C7.O.OS(=O)(=O)O |
| InChIKey | RDFVUAKFQVGDJQ-UHFFFAOYSA-N |
Product Overview
Belladonninbisulfat-zusatz (CAS 5908-89-4), with molecular formula C34H46N2O9S and molecular weight 658.2924 g/mol. IUPAC: 1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate;sulfuric acid;hydrate.