CAS ID: | 186691-13-4 |
Molecular Formula: | C19H22NO4S2+ |
Molecular Weight: | 392.5 g/mol |
Monoisotopic Mass: | 392.0985 g/mol |
Class: | Small Molecule |
Natural Product: | No |
Other Names: | TIOTROPIUM | BRALTUS | BA 679 BR | TIOTROPIUM BROMIDE | TIOTROPIUM BROMIDE MONOHYDRATE | SPIRIVA | SPIRIVA RESPIMAT |
Analysis: | Drug repositioning mechanism analysis |
InChI: | InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | See All |
InChI Key: | LERNTVKEWCAPOY-DZZGSBJMSA-N | |
Smiles: | C[N+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)C(O)(c4cccs4)c5cccs5 | See All |
Molfile: | Download |
Trial Record 1
ClinicalTrial ID | NCT01179347 | Disease | Cystic fibrosis |
Phase | Phase 3 | Status | Completed |
First Received | August 11, 2010 | Last Verified | December 24, 2013 |
Sponsor | Boehringer Ingelheim |
PubChem: | |
ChEMBL: | CHEMBL1900528 |