basic_info |
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| Product_Name： | (S)-XANTHOANTHRAFIL |
| CAS： | 247567-47-1 |
| EnglishSynonyms： | N-[(3,4-DIMETHOXYPHENYL)METHYL]-2-[[(1S)-2-HYDROXY-1-METHYLETHYL]AMINO]-5-NITRO-BENZAMIDE ; (S)-XANTHOANTHRAFIL |
| pro_mdlNumber： | MFCD18382457 |
| pro_acceptors： | 9 |
| pro_donors： | 3 |
| pro_smile： | C[C@@H](CO)Nc1ccc(cc1C(=O)NCc2ccc(c(c2)OC)OC)[N+](=O)[O-] |
| InChi： | InChI=1S/C19H23N3O6/c1-12(11-23)21-16-6-5-14(22(25)26)9-15(16)19(24)20-10-13-4-7-17(27-2)18(8-13)28-3/h4-9,12,21,23H,10-11H2,1-3H3,(H,20,24)/t12-/m0/s1 |
| InChiKey： | InChIKey=ZISFCTXLAXIEMV-LBPRGKRZSA-N |
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