| Identification | Back Directory | [Name]
TP-434 | [CAS]
1207283-85-9 | [Synonyms]
TP-434
Eravacyclin
Eravacycline
(Eravacvcline)
Eravacycline TP-434
TP-434(Eravacycline)
TP-434 dihydrochloride
Tigecycline Impurity 39
ERAVACYCLINE; TP434; TP 434
7-fluoro-9-pyrrolidinoacetamido-6-demethyl-6-deoxytetracycline
(4S,12aS)-4-(dimethylamino)-7-fluoro-3,10,12,12a-tetrahydroxy-1,11-dioxo-9-(2-(pyrrolidin-1-yl)acetamido)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(2-pyrrolidin-1-ylacetyl)amino]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
1-Pyrrolidineacetamide, N-[(5aR,6aS,7S,10aS)-9-(aminocarbonyl)-7-(dimethylamino)-4-fluoro-5,5a,6,6a,7,10,10a,12-octahydro-1,8,10a,11-tetrahydroxy-10,12-dioxo-2-naphthacenyl]-
4-Dimethylamino-7-fluoro-3,10,12,12a-tetrahydroxy-1,11-dioxo-9-(2-pyrrolidin-1-yl-cetylamino)-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide (ERAVACYCLINE) | [Molecular Formula]
C27H31FN4O8 | [MDL Number]
MFCD31010183 | [MOL File]
1207283-85-9.mol | [Molecular Weight]
558.56 |
| Chemical Properties | Back Directory | [Boiling point ]
868.1±65.0 °C(Predicted) | [density ]
1.60±0.1 g/cm3(Predicted) | [storage temp. ]
Amber Vial, -20°C Freezer, Under inert atmosphere | [pka]
4.50±1.00(Predicted) | [Water Solubility ]
Water : 50 mg/mL (79.18 mM) | [InChIKey]
HLFSMUUOKPBTSM-ISIOAQNYSA-N | [SMILES]
N1(CC(NC2=CC(F)=C3C(=C2O)C(=O)C2[C@]([H])(C[C@]4([H])[C@](O)(C=2O)C(=O)C(C(N)=O)=C(O)[C@H]4N(C)C)C3)=O)CCCC1 |
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