Products 233585-94-9
CAS 233585-94-9 is the registry number for 9-tert-Butyldoxycycline. Offered by: MedChemExpress. Available pack sizes: Get quote.
(4S,4aR,5S,5aR,6R,12aR)-9-tert-butyl-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (CAS 233585-94-9) is a chemical compound with the molecular formula C26H32N2O8 and a molecular weight of 500.5 g/mol. IUPAC name: (4S,4aR,5S,5aR,6R,12aR)-9-tert-butyl-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide. InChIKey: IGRUGLWWCNYLFE-LDJCAIMCSA-N.
| Molecular formula | C26H32N2O8 |
|---|---|
| Molecular weight | 500.5 g/mol |
| IUPAC name | (4S,4aR,5S,5aR,6R,12aR)-9-tert-butyl-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide |
| InChIKey | IGRUGLWWCNYLFE-LDJCAIMCSA-N |
| SMILES | C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC(=C4O)C(C)(C)C)O)O)O)C(=O)N)N(C)C)O |
Computed by PubChem (NCBI)
Synonyms:
9-tert-Butyldoxycycline, orb2945756