Methylergonovine maleate

Methylergonovine A homolog of ERGONOVINE containing one more CH2 group. (Merck Index, 11th ed)

Molecular Formula: C₂₄H₂₉N₃O₆

InChI: InChI=1/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,18-;/m1./s1/f/h22H;5,7H

InChIKey: InChIKey=NOFOWWRHEPHDCY-FKQQGKPYDP
SMILES: CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=CC(=O)O)C(=O)O

Names:
    D00680
    Methergine (TN)
    Methergine
    Methylergometrine maleate (JP15)
    Methylergometrine maleate
    Methylergonovine maleate (USP)
    Methylergonovine maleate
    57432-61-8

Registries:
    PubChem CID 5281072
    PubChem ID 7847746