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CHEBI:201449 - Sarecycline hydrochloride
| Formula | C24H29N3O8.HCl |
| Net Charge | 0 |
| Average Mass | 523.970 |
| Monoisotopic Mass | 523.17214 |
| SMILES | CON(C)Cc1ccc(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(=O)C1=C2O.Cl |
| InChI | InChI=1S/C24H29N3O8.ClH/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33;/h5-6,11,13,18,28-29,32,34H,7-9H2,1-4H3,(H2,25,33);1H |
| InChIKey | JGPBDCKZLBSHOI-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sarecycline hydrochloride (CHEBI:201449) is a tetracyclines (CHEBI:26895) |
| IUPAC Name |
|---|
| (4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[[methoxy(methyl)amino]methyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride |