Marvin 07301015152D 53 59 0 0 1 0 999 V2000 8.4027 -9.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3997 -10.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1171 -10.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8298 -10.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6597 -10.5308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0961 -9.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5400 -9.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1172 -9.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8300 -9.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5488 -8.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1172 -8.3089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8321 -7.8976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8331 -7.0775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1211 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 -7.0739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4036 -7.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6912 -6.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 -7.0704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5506 -6.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5467 -7.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6933 -5.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3995 -8.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1527 -7.0671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6573 -6.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6699 -7.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8809 -7.4909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8774 -6.6682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 -6.2622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4558 -6.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 -7.9077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4576 -7.4988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8476 -8.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1869 -8.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0066 -8.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8857 -8.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1631 -7.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9023 -5.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7386 -6.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1648 -5.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4473 -5.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5702 -7.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1609 -8.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3952 -7.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4473 -4.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 -3.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 -5.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0183 -4.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0183 -5.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9698 -10.3075 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6862 -10.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5524 -9.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3874 -9.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 10 1 0 0 0 0 10 12 1 0 0 0 0 11 12 1 0 0 0 0 1 2 2 0 0 0 0 8 1 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 7 9 1 0 0 0 0 15 17 1 1 0 0 0 8 9 2 0 0 0 0 17 18 1 0 0 0 0 3 4 2 0 0 0 0 13 19 1 0 0 0 0 9 4 1 0 0 0 0 12 20 1 1 0 0 0 17 21 2 0 0 0 0 8 11 1 0 0 0 0 11 22 1 6 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 24 27 1 0 0 0 0 26 25 1 0 0 0 0 25 23 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 31 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 30 1 0 0 0 0 26 35 1 6 0 0 0 30 36 1 1 0 0 0 24 37 2 0 0 0 0 29 38 2 0 0 0 0 28 39 1 6 0 0 0 39 40 1 0 0 0 0 23 41 1 1 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 40 44 1 0 0 0 0 45 44 2 0 0 0 0 46 40 2 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 48 47 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 50 53 2 0 0 0 0 M END > CHEBI:31490 > dihydroergocristine mesylate > The methanesulfonic acid salt of dihydroergocristine. It has been used as the for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. It is also a component of ergoloid mesylate (codergocrine mesilate), a mixture of ergot alkaloid derivatives that is used as a vasodilator and has shown mild benefits in the treatment of vascular dementia. > 3 > Dihydroergocristinmesilat; dihydroergocristine methanesulfonate; Dihydroergocristine mesylate; dihydroergocristine mesilate; 9,10-dihydroergocristine methanesulfonate; 9,10-dihydroergocristine mesylate; 9,10-dihydroergocristine mesilate; 5'alpha-Benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate > (10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman methanesulfonate > C36H45N5O8S > 707.83600 > 707.29888 > 0 > CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C > 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 > SPXACGZWWVIDGR-SPZWACKZSA-N > 3896115 > 24730-10-7 > 24730-10-7 > DBSALT002618 > C13168 > D07833 > 24134630 $$$$