basic_info |
|
| Product_Name： | 1-DEAZAMETHOTREXATE |
| CAS： | 34522-28-6 |
| EnglishSynonyms： | 1-DEAZAMETHOTREXATE |
| pro_mdlNumber： | MFCD01725214 |
| pro_acceptors： | 12 |
| pro_donors： | 5 |
| pro_smile： | CN(Cc1cnc2cc(nc(c2n1)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChi： | InChI=1S/C21H23N7O5/c1-28(10-12-9-24-15-8-16(22)27-19(23)18(15)25-12)13-4-2-11(3-5-13)20(31)26-14(21(32)33)6-7-17(29)30/h2-5,8-9,14H,6-7,10H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,27)/t14-/m0/s1 |
| InChiKey： | InChIKey=FJRKUZWBJSBJNI-AWEZNQCLSA-N |
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