Name: | DIHYDROERGOTAMINE |
CAS: | 6190-39-2 ;511-12-6 ;11032-41-0 |
Synonyms: | DIHYDROERGOTAMINE |
MDL.: | MFCD00215847 |
H bond acceptor: | 10 |
H bond donor: | 3 |
Smile: | C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C |
InChi: | InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1 |
InChiKey: | InChIKey=LUZRJRNZXALNLM-JGRZULCMSA-N |
Property |
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Safety information |
DIHYDROERGOTAMINE
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