| Identification | Back Directory | [Name]
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-, (4R,4aS,5aR,12aS)- | [CAS]
601455-29-2 | [Synonyms]
Omadacycline Impurity 9
Omadacycline Impurity 1
4-Beta epimer omadacycline
Omadacycline 4-Beta Isomers
Omadacycline Impurity 1YWP-IM-01
(4R,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
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-, (4R,4aS,5aR,12aS)- | [Molecular Formula]
C29H40N4O7 | [MOL File]
601455-29-2.mol | [Molecular Weight]
556.65 |
| Chemical Properties | Back Directory | [Boiling point ]
837.6±65.0 °C(Predicted) | [density ]
1.39±0.1 g/cm3(Predicted) | [pka]
4.50±1.00(Predicted) | [InChIKey]
JEECQCWWSTZDCK-QUJHQXMQSA-N | [SMILES]
C1(=O)[C@]2(O)[C@@]([H])(C[C@@]3([H])C(=C2O)C(=O)C2=C(C(N(C)C)=CC(CNCC(C)(C)C)=C2O)C3)[C@@H](N(C)C)C(O)=C1C(N)=O |
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