basic_info |
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| Product_Name: | (8-BETA)-N-(1-METHYLETHYL)-N-(((1-METHYLETHYL)AMINO)CARBONYL)-6-PROPYL ERGOLINE-8-CARBOXAMIDE |
| CAS: | 81409-76-9 |
| EnglishSynonyms: | (8-BETA)-N-(1-METHYLETHYL)-N-(((1-METHYLETHYL)AMINO)CARBONYL)-6-PROPYL ERGOLINE-8-CARBOXAMIDE |
| pro_mdlNumber: | MFCD01729273 |
| pro_acceptors: | 6 |
| pro_donors: | 2 |
| pro_smile: | CCCN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N(C(C)C)C(=O)NC(C)C |
| InChi: | InChI=1S/C25H36N4O2/c1-6-10-28-14-18(24(30)29(16(4)5)25(31)27-15(2)3)11-20-19-8-7-9-21-23(19)17(13-26-21)12-22(20)28/h7-9,13,15-16,18,20,22,26H,6,10-12,14H2,1-5H3,(H,27,31)/t18-,20-,22-/m1/s1 |
| InChiKey: | InChIKey=WKQNRMKDZKSJGR-SYYKKAFVSA-N |
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