basic_info |
|
| Product_Name： | DIOXADET |
| CAS： | 67026-12-4 ;89286-76-0 |
| EnglishSynonyms： | DIOXADET |
| pro_mdlNumber： | MFCD01730289 |
| pro_acceptors： | 9 |
| pro_donors： | 2 |
| pro_smile： | CC1(OCC(CO1)(CO)Nc2nc(nc(n2)N3CC3)N4CC4)C |
| InChi： | InChI=1S/C14H22N6O3/c1-13(2)22-8-14(7-21,9-23-13)18-10-15-11(19-3-4-19)17-12(16-10)20-5-6-20/h21H,3-9H2,1-2H3,(H,15,16,17,18) |
| InChiKey： | InChIKey=QKBGEGKCGLXDSG-UHFFFAOYSA-N |
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