basic_info |
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| Product_Name： | 阿比茶碱 |
| CAS： | 107767-55-5 |
| 中文同义词： | 阿比茶碱 |
| EnglishSynonyms： | 1-(5-HYDROXY-5-METHYLHEXYL)-3-METHYLXANTHINE ; ALBIFYLLINE |
| pro_mdlNumber： | MFCD00884660 |
| pro_acceptors： | 7 |
| pro_donors： | 2 |
| pro_smile： | CC(C)(CCCCn1c(=O)c2c(nc[nH]2)n(c1=O)C)O |
| InChi： | InChI=1S/C13H20N4O3/c1-13(2,20)6-4-5-7-17-11(18)9-10(15-8-14-9)16(3)12(17)19/h8,20H,4-7H2,1-3H3,(H,14,15) |
| InChiKey： | InChIKey=NWXULHNEYYFVMF-UHFFFAOYSA-N |
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