2-(5-((7R,14R)-1-(difluoromethoxy)-10-fluoro-5-oxo-5,6,7,14-tetrahydro-7,14-methanobenzo[f]benzo[4,5]imidazo[1,2-a][1,4]diazocin-11-yl)pyrimidin-2-yl)propan-2-yl hydrogen sulfate, ammonia salt
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Basic information
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Exact Mass | 592.13519 |
Smiles | O(C1C=CC=C2C=1[C@@]1([H])C[C@@]([H])(NC2=O)C2=NC3C(=CC(C4C=NC(=NC=4)C(C)(C)OS(O)(=O)=O)=C(C=3)F)N12)C(F)F.N |
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Canonical Smiles | N.CC(C)(OS(O)(=O)=O)C1N=CC(=CN=1)C1C=C2C(=CC=1F)N=C1[C@H]3C[C@H](C4C(=CC=CC=4OC(F)F)C(=O)N3)N21 |
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Inchi | InChI=1S/C25H20F3N5O6S.H3N/c1-25(2,39-40(35,36)37)23-29-9-11(10-30-23)13-6-17-15(7-14(13)26)31-21-16-8-18(33(17)21)20-12(22(34)32-16)4-3-5-19(20)38-24(27)28;/h3-7,9-10,16,18,24H,8H2,1-2H3,(H,32,34)(H,35,36,37);1H3/t16-,18-;/m1./s1 |
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InchiKey | PTBPJXMOJZPLLZ-PHJLCXHGSA-N |
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