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CHEBI:750532 - tipranavir disodium
| Formula | Na.C31H31F3N2O5S.Na |
| Net Charge | 0 |
| Average Mass | 646.639 |
| Monoisotopic Mass | 646.17012 |
| SMILES | CCC[C@@]1(CCc2ccccc2)CC([O-])=C([C@H](CC)c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1.[Na+].[Na+] |
| InChI | InChI=1S/C31H32F3N2O5S.2Na/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34;;/h5-14,18,20,25H,3-4,15-17,19H2,1-2H3,(H,37,38);;/q-1;2*+1/p-1/t25-,30-;;/m1../s1 |
| InChIKey | ZBWMQTUSVWBMQE-KPHXKKTMSA-M |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tipranavir disodium (CHEBI:750532) is a diarylheptanoid (CHEBI:78802) |
| Synonyms | Source |
|---|---|
| PNU-140690E | ChEMBL |
| Tipranavir disodium | ChEMBL |
| Tipranavir sodium | ChEMBL |