Methyl Ergonovine-D7 Maleate Salt

Analyte Name

Methyl Ergonovine-D7 Maleate Salt

Molecular Formula

C20H18D7N3O2 . (C4H4O4)

Molecular Weight

462.54

Accurate Mass

462.25

SMILES

OC([2H])([2H])[C@H](C([2H])([2H])C([2H])([2H])[2H])NC([C@H]1CN(C)[C@](C2=C1)([H])CC3=CNC4=C3C2=CC=C4)=O.O=C(/C=C\C(O)=O)O

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/i1D3,3D2,11D2;

IUPAC

(6aR,9R)-N-((S)-1-hydroxybutan-2-yl-1,1,3,3,4,4,4-d7)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide maleate

Unlabelled CAS Number

57432-61-8; Free Base: 113-42-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat