| Identification | Back Directory | [Name]
2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-[[(2,2-dimethylpropyl)amino]methyl]-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-1,12-dioxo-, (4S,4aS,12aS)- | [CAS]
2272886-35-6 | [Synonyms]
Omadacycline Impurity
Omacycline impurity 3
Omadacycline Impurity 11
Omadacycline M-2 impurities
Omadacycline Impurity 3YWP-IM-03
(4S,4aS,12aS)-4,7-bis(dimethylamino)-3,10,11,12a-tetrahydroxy-9-((neopentylamino)methyl)-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-[[(2,2-dimethylpropyl)amino]methyl]-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-1,12-dioxo-, (4S,4aS,12aS)- | [Molecular Formula]
C29H38N4O7 | [MOL File]
2272886-35-6.mol | [Molecular Weight]
554.63 |
| Chemical Properties | Back Directory | [Boiling point ]
747.4±60.0 °C(Predicted) | [density ]
1.41±0.1 g/cm3(Predicted) | [pka]
4.36±0.70(Predicted) | [InChIKey]
QMEMYAJVNVZCHA-LYSGHTCPSA-N | [SMILES]
C1(=O)[C@]2(O)[C@@]([H])(CC3=C(C2=O)C(O)=C2C(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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