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Product_Name: | DIHYDROERGOCRISTINE MESYLATE |
CAS: | 24730-10-7 |
EnglishSynonyms: | (5'ALPHA, 10ALPHA)-9,10-DIHYDRO-12'-HYDROXY-2'-(1-METHYLETHYL)-5'-(PHENYLMETHYL)-ERGOTAMAN-3',6',18-TRIONE MESYLATE ; DIHYDROERGOCRISTINE MESYLATE ; DIHYDROERGOCRISTINE METHANESULFONATE SALT ; DIHYDROERGOCRISTINE METHANESULFONATE |
pro_mdlNumber: | MFCD00153792 |
pro_acceptors: | 10 |
pro_donors: | 3 |
pro_smile: | CC(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.CS(=O)(=O)O |
InChi: | InChI=1S/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1 |
InChiKey: | InChIKey=SPXACGZWWVIDGR-SPZWACKZSA-N |
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Comments: | EINECS: 246-434-6 MERCK: 14,3653 RTECS: KE7600000 TSCA: N UNSPSC: 12000000 |
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