basic_info |
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Product_Name: | DIHYDROERGOCRYPTINE |
CAS: | 25447-66-9 |
EnglishSynonyms: | DIHYDROERGOCRYPTINE |
pro_mdlNumber: | MFCD00210195 |
pro_acceptors: | 10 |
pro_donors: | 3 |
pro_smile: | CCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@@H]5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C)O |
InChi: | InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18?,20-,22-,24-,25+,27+,31-,32+/m1/s1 |
InChiKey: | InChIKey=SBFXHXZNBNFPHV-CROXOCCCSA-N |
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