| SpectraBase Compound ID | FdARlKrIQHL |
|---|---|
| InChI | InChI=1S/C21H26F3N5O9S/c1-10(2)19(34)28(21(22,23)24)11-3-5-14(29(37)38)15(7-11)39-9-13(18(33)26-8-17(31)32)27-16(30)6-4-12(25)20(35)36/h3,5,7,10,12-13H,4,6,8-9,25H2,1-2H3,(H,26,33)(H,27,30)(H,31,32)(H,35,36)/t12-,13-/m0/s1 |
| InChIKey | QQFIQCWVICXYFM-STQMWFEESA-N |
| Mol Weight | 581.52 g/mol |
| Molecular Formula | C21H26F3N5O9S |
| Exact Mass | 581.140333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hj9VhHr67d6 |
|---|---|
| Name | FLUTAMIDE-GLUTATHIONE;FLUTAMIDE-GSH |
| Compound Number | M7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26F3N5O9S |
| InChI | InChI=1S/C21H26F3N5O9S/c1-10(2)19(34)28(21(22,23)24)11-3-5-14(29(37)38)15(7-11)39-9-13(18(33)26-8-17(31)32)27-16(30)6-4-12(25)20(35)36/h3,5,7,10,12-13H,4,6,8-9,25H2,1-2H3,(H,26,33)(H,27,30)(H,31,32)(H,35,36)/t12-,13-/m0/s1 |
| InChIKey | QQFIQCWVICXYFM-STQMWFEESA-N |
| Literature Reference Author | P.KANG,D.DALVIE,E.SMITH,S.ZHOU,A.DEESE |
| Literature Reference Citation | DRUG.MET.DISP.,35,1081(2007) |
| Literature Reference DOI | 10.1124/dmd.107.014860 |
| Molecular Weight | 581.521 g/mol |
| Source File Reference | UWLU74140 |