| CAS ID: | 29908-03-0 |
| Molecular Formula: | C15H22N6O5S |
| Molecular Weight: | 398.5 g/mol |
| Monoisotopic Mass: | 398.1372 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | ADEMETIONINE | MOODPLUS | GUMBARAL | SAMYR 200 |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | See All |
| InChI Key: | MEFKEPWMEQBLKI-AIRLBKTGSA-N | |
| Smiles: | C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT02231333 | Disease | Liver fibrosis |
| Phase | Not Applicable | Status | Unknown |
| First Received | September 4, 2014 | Last Verified | March 24, 2015 |
| Sponsor | Institute of Liver and Biliary Sciences, India | ||
Trial Record 2
| ClinicalTrial ID | NCT02557360 | Disease | Liver fibrosis |
| Phase | Phase 4 | Status | Completed |
| First Received | September 23, 2015 | Last Verified | March 28, 2017 |
| Sponsor | Pomeranian Medical University Szczecin | ||
Trial Record 3
| ClinicalTrial ID | NCT00125281 | Disease | Liver fibrosis |
| Phase | Phase 2 | Status | Terminated |
| First Received | July 29, 2005 | Last Verified | July 2, 2017 |
| Sponsor | National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK) | ||
| PubChem: | 34755 |
| ChEMBL: | CHEMBL1088977 |