basic_info |
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Product_Name: | 溴醋茶碱 |
CAS: | 96989-76-3 |
中文同义词: | 溴醋茶碱 |
EnglishSynonyms: | ACEBROPHYLLINE |
pro_mdlNumber: | MFCD16621057 |
pro_acceptors: | 3 |
pro_donors: | 3 |
pro_smile: | Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)O.c1c(cc(c(c1CN[C@@H]2CC[C@H](CC2)O)N)Br)Br |
InChi: | InChI=1S/C13H18Br2N2O.C9H10N4O4/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h5-6,10-11,17-18H,1-4,7,16H2;4H,3H2,1-2H3,(H,14,15)/t10-,11-; |
InChiKey: | InChIKey=IPUHJDQWESJTGD-PFWPSKEQSA-N |
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