| Identification | Back Directory | [Name]
Baloxavir Impurity 29 | [CAS]
2954948-28-6 | [Synonyms]
(((R)-12-((S)-7-fluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-6,8-dioxo-3,4,6,8,12,12a-hexahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl)oxy)methyl methyl carbonate
Carbonic acid, [[(12aR)-12-[(11S)-7-fluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-3,4,6,8,12,12a-hexahydro-6,8-dioxo-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl]oxy]methyl methyl ester | [Molecular Formula]
C27H24FN3O7S | [MOL File]
2954948-28-6.mol | [Molecular Weight]
553.56 |
| Chemical Properties | Back Directory | [Boiling point ]
713.6±70.0 °C(predicted) | [density ]
1.54±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted) | [pka]
-1.46±0.40(predicted) | [InChIKey]
IKGGDGZCZIZNDI-PKTZIBPZSA-N | [SMILES]
O(C1C(C=CN2C=1C(N1CCOC[C@@]1([H])N2[C@@H]1C2=CC=CC=C2SCC2=C(C=CC=C12)F)=O)=O)COC(=O)OC |
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