Dihytamine

Dihydroergotamine A 9,10alpha-dihydro derivative of ERGOTAMINE. It is used as a vasoconstrictor, specifically for the therapy of migraine.

Molecular Formula: C₃₄H₄₁N₅O₈S

InChI: InChI=1/C33H37N5O5.CH4O3S/c1-32(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;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1/f/h35H;2H

InChIKey: InChIKey=ADYPXRFPBQGGAH-WIXWACNADA
SMILES: CC1(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:
    DETMS
    DHE-45
    Dihydergot
    Dihydroergotamine mesilate
    Dihydroergotamine mesylate [USAN]
    Dihydroergotamine mesylate
    Dihydroergotamine methanesulfonate
    Dihytamine
    EINECS 228-235-6
    9,10-Dihydroergotamine mesylate

Registries:
    PubChem CID 71171
    PubChem ID 213380