分析物名称

(8beta)-N-(((3-(Dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propen-1-yl)-ergoline-8-carboxamide-d5

分子式

C26 D5 H32 N5 O2

分子量

456.635

精确质量测定

456.326

SMILES

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

InChI

InChI=1S/C26H37N5O2/c1-5-12-30-17-19(25(32)31(6-2)26(33)27-11-8-13-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1/i1D2,5D,12D2

IUPAC

(6aR,9R,10aR)-N-[3-(dimethylamino)propylcarbamoyl]-N-ethyl-7-(1,1,2,3,3-pentadeuterioprop-2-enyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

无标签CAS登记号

81409-91-8

SIL类型

Deuterium

运输温度

Room Temperature

原产国

CANADA

产品类型

Stable Isotope Labelled

产品形式

Neat