ipratropium bromide
(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide
| Molecular Formula | C20H30BrNO3 |
|---|---|
| Molecular Weight | 412.4 g/mol |
| Topological Polar Surface Area | 46.5 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1409 |
| Heavy Atoms | 25 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 58073-59-9 |
|---|---|
| SMILES | CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-] |
| InChIKey | LHLMOSXCXGLMMN-UHFFFAOYSA-M |
📖 Product Overview
ipratropium bromide (CAS: 58073-59-9) is a chemical compound with molecular formula C20H30BrNO3 and molecular weight 412.4 g/mol. Its IUPAC systematic name is (8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide.
LHLMOSXCXGLMMN-UHFFFAOYSA-M.
SMILES: CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-].
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