Methyl Ergonovine-d5 Maleate Salt

Analyte Name

Methyl Ergonovine-d5 Maleate Salt

Molecular Formula

C24H24D5N3O6

Molecular Weight

460.53

Accurate Mass

460.24

SMILES

O=C(/C=C\C(O)=O)O.OC[C@@H](NC([C@H]1CN([C@]([H])(CC2=CNC3=C2C4=CC=C3)C4=C1)C)=O)C([2H])(C([2H])([2H])[2H])[2H]

InChI

InChI=1S/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/i1D3,3D2;

IUPAC

(6aR,9R)-N-((S)-1-hydroxybutan-2-yl-3,3,4,4,4-d5)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide maleate

Unlabelled CAS Number

57432-61-8

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Dihydroergotamine

Purity

>95% (HPLC)