DIHYDROERGOCRISTINE MESYLATE

Dihydroergocristine A 9,10alpha-dihydro derivative of ERGOTAMINE that contains an isopropyl sidechain at the 2' position of the molecule.

Molecular Formula: C₃₆H₄₅N₅O₈S

InChI: InChI=1/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/f/h37H;2H

InChIKey: InChIKey=SPXACGZWWVIDGR-MEHKUWBPDB
SMILES: CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O

Names:
    DIHYDROERGOCRISTINE MESYLATE
    D02400
    24730-10-7

Registries:
    PubChem CID 444034
    PubChem ID 7849458