| CAS ID: | 136310-93-5 |
| Molecular Formula: | C19H22BrNO4S2 |
| Molecular Weight: | 392.5 g/mol |
| Monoisotopic Mass: | 392.0985 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C19H22NO4S2.BrH/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;1H/q+1;/p-1/t11?,12-,13+,16-,17+; | See All |
| InChI Key: | DQHNAVOVODVIMG-RGECMCKFSA-M | |
| Smiles: | [Br-].C[N+]1(C)[C@@H]2CC(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 | NCT02172534 | Disease | Cystic fibrosis |
| Phase | Phase 1 | Status | Completed |
| First Received | June 24, 2014 | Last Verified | June 24, 2014 |
| Sponsor | Boehringer Ingelheim | ||
Trial Record 2
| ClinicalTrial ID | NCT00737100 | Disease | Cystic fibrosis |
| Phase | Phase 2 | Status | Completed |
| First Received | August 18, 2008 | Last Verified | May 16, 2014 |
| Sponsor | Boehringer Ingelheim | ||
| PubChem: | 5487426 |
| ChEMBL: | CHEMBL3189058 |