Metergotamine

Molecular Formula: C₃₄H₃₇N₅O₅

InChI: InChI=1/C34H37N5O5/c1-33(32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33)35-30(40)22-16-24-23-11-7-12-25-29(23)21(18-36(25)2)17-26(24)37(3)19-22/h4-7,9-12,16,18,22,26-28,43H,8,13-15,17,19H2,1-3H3,(H,35,40)/t22-,26-,27+,28+,33-,34+/m1/s1/f/h35H

InChIKey: InChIKey=SZUQJDJBJHBVBO-OOXUAAFVDP
SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CN(C8=CC=CC(=C78)C6=C5)C)C

Names:
    Metergotamina [INN-Spanish]
    Metergotamina [Spanish]
    Metergotamine [INN]
    Metergotamine
    Metergotaminum [INN-Latin]
    Metergotaminum [Latin]
    1-Methylergotamine
    1-Methylergotamin
    22336-84-1

Registries:
    PubChem CID 65703
    PubChem ID 207729