| CAS ID: | 343306-79-6 |
| Molecular Formula: | C72H112O48S8 |
| Molecular Weight: | 2002.2 g/mol |
| Monoisotopic Mass: | 2000.4089 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | BRIDION | ORG 25969 | SUGAMMADEX SODIUM | SUGAMMADEX |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C72H112O48S8/c73-33(74)1-9-121-17-25-57-41(89)49(97)65(105-25)114-58-26(18-122-10-2-34(75)76)107-67(51(99)43(58)91)116-60-28(20-124-12-4-36(79)80)109-69(53(101)45(60)93)118-62-30(22-126-14-6-38(83)84)111-71(55(103)47(62)95)120-64-32(24-128-16-8-40(87)88)112-72(56(104)48(64)96)119-63-31(23-127-15-7-39(85)86)110-70(54(102)46(63)94)117-61-29(21-125-13-5-37(81)82)108-68(52(100)44(61)92)115-59-27(19-123-11-3-35(77)78)106-66(113-57)50(98)42(59)90/h25-32,41-72,89-104H,1-24H2,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t25-,26-,27-,28-,29-,30-,31-,32-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1 | See All |
| InChI Key: | WHRODDIHRRDWEW-ZWYCLXBASA-N | |
| Smiles: | O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3O[C@H](CSCCC(=O)O)[C@@H](O[C@H]4O[C@H](CSCCC(=O)O)[C@@H](O[C@H]5O[C@H](CSCCC(=O)O)[C@@H](O[C@H]6O[C@H](CSCCC(=O)O)[C@@H](O[C@H]7O[C@H](CSCCC(=O)O)[C@@H](O[C@H]8O[C@H](CSCCC(=O)O)[C@@H](O[C@H]9O[C@H](CSCCC(=O)O)[C@@H](O[C@H]1O[C@@H]2CSCCC(=O)O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)C6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT02414880 | Disease | Liver fibrosis |
| Phase | Phase 4 | Status | Completed |
| First Received | April 13, 2015 | Last Verified | February 2, 2016 |
| Sponsor | Cairo University | ||
| PubChem: | 70693550 |
| ChEMBL: | CHEMBL2111107 |