N8-Desethylcarbamoyl-N1-ethylcarbamoyl Cabergoline-d5

Analyte Name

N8-Desethylcarbamoyl-N1-ethylcarbamoyl Cabergoline-d5

Molecular Formula

C26H32D5N5O2

Molecular Weight

456.65

Accurate Mass

456.33

SMILES

[H][C@]12C[C@@H](C(NCCCN(C)C)=O)CN(CC=C)[C@]1([H])CC3=CN(C(NC([2H])([2H])C([2H])([2H])[2H])=O)C4=CC=CC2=C34

InChI

InChI=1S/C26H37N5O2/c1-5-12-30-16-19(25(32)28-11-8-13-29(3)4)14-21-20-9-7-10-22-24(20)18(15-23(21)30)17-31(22)26(33)27-6-2/h5,7,9-10,17,19,21,23H,1,6,8,11-16H2,2-4H3,(H,27,33)(H,28,32)/t19-,21-,23-/m1/s1/i2D3,6D2

IUPAC

(6aR,9R,10aR)-7-allyl-N9-(3-(dimethylamino)propyl)-N4-(ethyl-d5)-6a,7,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4,9(6H)-dicarboxamide

Unlabelled CAS Number

166533-36-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat