Compound: Omadacycline
SMILES: O=C1c2c(O)c(cc(c2C[C@@H]3C1=C(O)[C@]4(O)C(=O)C(=C(O)[C@H]([C@@H]4C3)N(C)C)C(=O)N)N(C)C)CNCC(C)(C)C
InChIKey: JEECQCWWSTZDCK-IQZGDKDPSA-N
Synonyms: Omadacycline, Amadacycline, 389139-89-3, nuzyra, Omadacycline [USAN], PTK 0796;Amadacycline, BAY 73-6944, 090IP5RV8F, (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide, Omadacycline (USAN), (4S,4aS,5aR,12aS)-4,7-bis(Dimethylamino)-9-(((2,2-dimethylpropyl)amino)methyl)- 3,10,12,12a- tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2- carboxamide, (4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-((neopentylamino)methyl)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, Omadacycline [USAN:INN], omadaciclina, UNII-090IP5RV8F, C29H40N4O7, (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-3,10,12,12a-tetrahydroxy-1,11-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide, 2-NAPHTHACENECARBOXAMIDE, 4,7-BIS(DIMETHYLAMINO)-9-(((2,2-DIMETHYLPROPYL)AMINO)METHYL)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-, (4S,4AS,5AR,12AS)-, 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-[[(2,2-dimethylpropyl)amino]methyl]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-, 389139-89-3 (free base), MK-2764, Omadacycline (Standard), OMADACYCLINE [MI], Omadacycline Impurity 42, OMADACYCLINE [INN], OMADACYCLINE [WHO-DD], SCHEMBL1525961, 9-neopentylaminomethylminocycline, CHEMBL1689772, SCHEMBL17150976, SCHEMBL20952297, SCHEMBL29363116, GTPL10839, PTK-796, PTK0796, CHEBI:177758, DTXSID201027687, EX-A4252, EBC-27311, HY-14865R, compound 6 [PMID: 21302930], CS-1338, DB12455, BAY-73-6944, BAY-73-7388, NCGC00378946-03, (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-9-{[(2,2-dimethylpropyl)amino]methyl}-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, AC-33245, DA-70746, HY-14865, NS00069930, PTK 0796, BAY 73-6944, D09647, E80520, EN300-20385155, Q15426992, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-9-(((2,2-DIMETHYLPROPYL)AMINO)METHYL)-3,10,12,12A- TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-(((2,2- dimethylpropyl)amino)methyl)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a- tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-, U3B
Theoretical properties:
molecular_formula: C29H40N4O7
molecular_weight: 556.6 g/mol
exact_mass: 556.28969963 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 6
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 7
heavy_atom_count: 40
topological_polar_surface_area: 177 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Omadacycline is a member of tetracyclines.
chembl: OMADACYCLINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Omadacycline, sold under the brand name Nuzyra,  is a broad spectrum antibiotic medication belonging to the aminomethylcycline subclass of tetracycline antibiotics. In the United States, it was approved in October 2018, for the treatment of community-acquired bacterial pneumonia and acute skin and skin structure infections.