Analyte Name

N1-Ethylcarbamoyl Cabergoline-d5

Molecular Formula

C29 D5 H37 N6 O3

Molecular Weight

527.713

Accurate Mass

527.363

SMILES

[2H]C([2H])([2H])C([2H])([2H])NC(=O)n1cc2C[C@@H]3[C@H](C[C@H](CN3CC=C)C(=O)N(CCCN(C)C)C(=O)NCC)c4cccc1c24

InChI

InChI=1S/C29H42N6O3/c1-6-13-33-18-21(27(36)34(28(37)30-7-2)15-10-14-32(4)5)16-23-22-11-9-12-24-26(22)20(17-25(23)33)19-35(24)29(38)31-8-3/h6,9,11-12,19,21,23,25H,1,7-8,10,13-18H2,2-5H3,(H,30,37)(H,31,38)/t21-,23-,25-/m1/s1/i3D3,8D2

IUPAC

(6aR,9R,10aR)-9-N-[3-(dimethylamino)propyl]-9-N-(ethylcarbamoyl)-4-N-(1,1,2,2,2-pentadeuterioethyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4,9-dicarboxamide

Unlabelled CAS Number

126554-50-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat