![(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2,2-Di(2-thienyl)glycolate](https://resource.bocsci.com/structure/136310-64-0.gif)
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| IUPAC Name: | [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate |
| Description: | (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2,2-Di(2-thienyl)glycolate (CAS# 136310-64-0) is a precursor to Tiotropium Bromide. |
| Molecular Weight: | 377.48 |
| Molecular Formula: | C18H19NO4S2 |
| Canonical SMILES: | CN1C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O |
| InChI: | InChI=1S/C18H19NO4S2/c1-19-11-8-10(9-12(19)16-15(11)23-16)22-17(20)18(21,13-4-2-6-24-13)14-5-3-7-25-14/h2-7,10-12,15-16,21H,8-9H2,1H3/t10?,11-,12+,15-,16+ |
| InChI Key: | VPJFFOQGKSJBAY-UGTXJPTRSA-N |
| Boiling Point: | 542.3 °C at 760 mmHg |
| Density: | 1.48 g/cm3 |
| Appearance: | White or off white crystalline powder |
| LogP: | 2.13900 |
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