| Identification | Back Directory | [Name]
2-Naphthacenecarboxamide, 7-(dimethylamino)-9-[[(2,2-dimethylpropyl)amino]methyl]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,4,11-trioxo-, (4aR,5aR,12aS)- | [CAS]
885112-31-2 | [Synonyms]
Omacycline impurity 2
Omadacycline Impurity 2
Omadacycline Impurity 10
Omadacycline Impurity 2YWP-IM-02
Omadacycline 4-Ketone impurities
(4aR,5aR,12aS)-7-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-((neopentylamino)methyl)-1,4,11-trioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
2-Naphthacenecarboxamide, 7-(dimethylamino)-9-[[(2,2-dimethylpropyl)amino]methyl]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,4,11-trioxo-, (4aR,5aR,12aS)- | [Molecular Formula]
C27H33N3O8 | [MOL File]
885112-31-2.mol | [Molecular Weight]
527.57 |
| Chemical Properties | Back Directory | [Boiling point ]
828.7±65.0 °C(Predicted) | [density ]
1.48±0.1 g/cm3(Predicted) | [pka]
6.83±0.70(Predicted) | [InChIKey]
LGINTFGNEYAZNV-ROXLPQNTSA-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(=O)C(O)=C1C(N)=O |
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