| CAS ID: | 206361-99-1 |
| Molecular Formula: | C27H37N3O7S |
| Molecular Weight: | 547.7 g/mol |
| Monoisotopic Mass: | 547.2352 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | Darunavir ethanolate | MC-114 | PREZISTA | DARUNAVIR | UIC-940T | TMC 114 |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 | See All |
| InChI Key: | CJBJHOAVZSMMDJ-HEXNFIEUSA-N | |
| Smiles: | CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc(N)cc4 | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT01908660 | Disease | Liver fibrosis |
| Phase | Status | Completed | |
| First Received | July 26, 2013 | Last Verified | November 11, 2015 |
| Sponsor | Valme University Hospital | ||
| PubChem: | 213039 |
| ChEMBL: | CHEMBL1323 |