| CAS ID: | 84625-61-6 |
| Molecular Formula: | C35H38Cl2N8O4 |
| Molecular Weight: | 705.7 g/mol |
| Monoisotopic Mass: | 704.2393 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | SPORANOX I.V. | ITRACONAZOLE | ONMEL | SPORANOX-PULSE | Sporanos | R 51,211 | SPORANOX |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1 | See All |
| InChI Key: | VHVPQPYKVGDNFY-ZPGVKDDISA-N | |
| Smiles: | CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4 | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT00528190 | Disease | Cystic fibrosis |
| Phase | Phase 4 | Status | Completed |
| First Received | September 12, 2007 | Last Verified | May 10, 2017 |
| Sponsor | Ottawa Hospital Research Institute | ||
Trial Record 2
| ClinicalTrial ID | NCT01576315 | Disease | Cystic fibrosis |
| Phase | Phase 2 | Status | Completed |
| First Received | April 12, 2012 | Last Verified | April 12, 2016 |
| Sponsor | Rennes University Hospital | ||
Trial Record 3
| ClinicalTrial ID | NCT00787917 | Disease | Cystic fibrosis |
| Phase | Phase 4 | Status | Terminated |
| First Received | November 10, 2008 | Last Verified | September 26, 2011 |
| Sponsor | Novartis Pharmaceuticals | ||
Trial Record 4
| ClinicalTrial ID | NCT01768663 | Disease | Cystic fibrosis |
| Phase | Phase 1 | Status | Completed |
| First Received | January 15, 2013 | Last Verified | November 15, 2013 |
| Sponsor | Vertex Pharmaceuticals Incorporated | ||
| PubChem: | 3793 |
| ChEMBL: | CHEMBL64391 |