basic_info |
|
| Product_Name： | ROLAPITANT HYDROCHLORIDE |
| CAS： | 914462-92-3 |
| EnglishSynonyms： | ROLAPITANT HYDROCHLORIDE |
| pro_mdlNumber： | MFCD22572774 |
| pro_acceptors： | 4 |
| pro_donors： | 2 |
| pro_smile： | C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)c4ccccc4.Cl |
| InChi： | InChI=1S/C25H26F6N2O2.ClH/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H/t16-,22-,23-;/m1./s1 |
| InChiKey： | InChIKey=VEWAWEMXVUFANV-PVBCUUEWSA-N |
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