basic_info |
|
| Product_Name： | ICI-118,551 |
| CAS： | 72795-26-7 ;72795-19-8 |
| EnglishSynonyms： | ICI-118,551 |
| pro_mdlNumber： | MFCD01074480 |
| pro_acceptors： | 3 |
| pro_donors： | 2 |
| pro_smile： | Cc1ccc(c2c1CCC2)OC[C@H]([C@@H](C)NC(C)C)O |
| InChi： | InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m1/s1 |
| InChiKey： | InChIKey=VFIDUCMKNJIJTO-CZUORRHYSA-N |
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