basic_info |
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| Product_Name: | 贝恩酮 |
| CAS: | 15351-04-9 ;5591-22-0 |
| 中文同义词: | 贝恩酮 |
| EnglishSynonyms: | BECANTONE ; 1-([2-[ETHYL(2-HYDROXY-2-METHYLPROPYL)AMINO]ETHYL]AMINO)-4-METHYL-9H-THIOXANTHEN-9-ONE |
| pro_mdlNumber: | MFCD00866730 |
| pro_acceptors: | 4 |
| pro_donors: | 2 |
| pro_smile: | CCN(CCNc1ccc(c2c1c(=O)c3ccccc3s2)C)CC(C)(C)O |
| InChi: | InChI=1S/C22H28N2O2S/c1-5-24(14-22(3,4)26)13-12-23-17-11-10-15(2)21-19(17)20(25)16-8-6-7-9-18(16)27-21/h6-11,23,26H,5,12-14H2,1-4H3 |
| InChiKey: | InChIKey=ATQREMXMJIWUIN-UHFFFAOYSA-N |
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