Name: | DIHYDROERGOTOXINE MESYLATE |
CAS: | 8067-24-1 ;17479-19-5 |
Synonyms: | DIHYDROERGOTOXINE MESYLATE |
MDL.: | MFCD00867218 |
H bond acceptor: | 10 |
H bond donor: | 3 |
Smile: | CC(C)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.CS(=O)(=O)O |
InChi: | InChI=1S/C32H43N5O5.CH4O3S/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t20-,22-,24-,25+,26+,31-,32+;/m1./s1 |
InChiKey: | InChIKey=TZGKQIBPZOZAKF-PJLVGBPESA-N |
DIHYDROERGOTOXINE MESYLATE
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