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CHEBI:750496 - omadacycline tosylate
| Formula | C7H8O3S.C29H40N4O7 |
| Net Charge | 0 |
| Average Mass | 728.865 |
| Monoisotopic Mass | 728.30911 |
| SMILES | Cc1ccc(S(=O)(=O)O)cc1.[H][C@@]12Cc3c(N(C)C)cc(CNCC(C)(C)C)c(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 |
| InChI | InChI=1S/C29H40N4O7.C7H8O3S/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34;1-6-2-4-7(5-3-6)11(8,9)10/h10,13,16,21,31,34,36-37,40H,8-9,11-12H2,1-7H3,(H2,30,39);2-5H,1H3,(H,8,9,10)/t13-,16-,21-,29-;/m0./s1 |
| InChIKey | SETFNHZTVGTBHC-XGLFQKEBSA-N |
| Roles Classification |
|---|
| Biological Roles: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| omadacycline tosylate (CHEBI:750496) has role antibacterial agent (CHEBI:33282) |
| omadacycline tosylate (CHEBI:750496) has role antiinfective agent (CHEBI:35441) |
| omadacycline tosylate (CHEBI:750496) is a tetracyclines (CHEBI:26895) |
| Synonyms | Source |
|---|---|
| Omadacycline tosilate | ChEMBL |
| Omadacycline tosylate | ChEMBL |
| PTK 0796 | ChEMBL |
| PTK-0796 | ChEMBL |
| Brand Name | Source |
|---|---|
| Nuzyra | ChEMBL |
| Citations |
|---|