basic_info |
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| Product_Name: | 3-BUTYL-1-(4,5-DIHYDROXYPENTYL)-7-METHYLXANTHINE |
| CAS: | 86257-03-6 |
| EnglishSynonyms: | 3-BUTYL-1-(4,5-DIHYDROXYPENTYL)-7-METHYLXANTHINE |
| pro_mdlNumber: | MFCD01757744 |
| pro_acceptors: | 8 |
| pro_donors: | 2 |
| pro_smile: | CCCCn1c2c(c(=O)n(c1=O)CCCC(CO)O)n(cn2)C |
| InChi: | InChI=1S/C15H24N4O4/c1-3-4-7-18-13-12(17(2)10-16-13)14(22)19(15(18)23)8-5-6-11(21)9-20/h10-11,20-21H,3-9H2,1-2H3 |
| InChiKey: | InChIKey=DUTVLFGDRFPFIQ-UHFFFAOYSA-N |
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