basic_info |
|
| Product_Name： | ITASETRON |
| CAS： | 123258-84-4 |
| EnglishSynonyms： | ITASETRON |
| pro_mdlNumber： | MFCD00868059 |
| pro_acceptors： | 6 |
| pro_donors： | 2 |
| pro_smile： | CN1[C@@H]2CC[C@H]1C[C@H](C2)NC(=O)n3c4ccccc4[nH]c3=O |
| InChi： | InChI=1S/C16H20N4O2/c1-19-11-6-7-12(19)9-10(8-11)17-15(21)20-14-5-3-2-4-13(14)18-16(20)22/h2-5,10-12H,6-9H2,1H3,(H,17,21)(H,18,22)/t10-,11+,12- |
| InChiKey： | InChIKey=RWXRJSRJIITQAK-ZSBIGDGJSA-N |
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