Analyte Name

6-Allyl-8beta-carboxyergoline-d5

Molecular Formula

C18 D5 H15 N2 O2

Molecular Weight

301.394

Accurate Mass

301.184

SMILES

[2H]C(=C([2H])C([2H])([2H])N1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)O)[2H]

InChI

InChI=1S/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12-,14-,16-/m1/s1/i1D2,2D,6D2

IUPAC

(6aR,9R,10aR)-7-(1,1,2,3,3-pentadeuterioprop-2-enyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid

Unlabelled CAS Number

81409-74-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat