basic_info |
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Product_Name: | QUININE 1'-OXIDE |
CAS: | 54821-44-2 |
EnglishSynonyms: | QUININE 1'-OXIDE |
pro_mdlNumber: | MFCD18252521 |
pro_acceptors: | 5 |
pro_donors: | 1 |
pro_smile: | COc1ccc2c(c1)c(cc[n+]2[O-])[C@H]([C@@H]3C[C@@H]4CCN3C[C@H]4C=C)O |
InChi: | InChI=1S/C20H24N2O3/c1-3-13-12-21-8-6-14(13)10-19(21)20(23)16-7-9-22(24)18-5-4-15(25-2)11-17(16)18/h3-5,7,9,11,13-14,19-20,23H,1,6,8,10,12H2,2H3/t13-,14+,19+,20-/m1/s1 |
InChiKey: | InChIKey=GBBIANHNFAPFOH-BBNYVJOESA-N |
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