Wigraine

Ergotamine A vasoconstrictor found in ergot of Central Europe. It is an alpha-1 selective adrenergic agonist and is commonly used in the treatment of MIGRAINE.

Molecular Formula: C₇₀H₇₆N₁₀O₁₆

InChI: InChI=1/2C33H35N5O5.C4H6O6/c2*1-32(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;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,25-,26+,27+,32-,33+;1-,2-/m111/s1/f/h2*35H;7,9H

InChIKey: InChIKey=CJMJLDQKTOJACI-CGKAKGSDDT
SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.C(C(C(=O)O)O)(C(=O)O)O

Names:
    Cafergot
    Cornutamin
    Ergostat
    Ergotartrate
    Femergin
    Gynergen
    Lingraine
    Migretamine
    Rigetamin
    Wigraine

Registries:
    PubChem CID 9787
    PubChem ID 153003