Product Code

TRC-D461427

Product Format

Neat

Molecular Formula

C26 D5 H32 N5 O2

Molecular Weight

456.635

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

81409-91-8

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

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

Molecular Formula

C26 D5 H32 N5 O2

Molecular Weight

456.635

Accurate Mass

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

Unlabelled CAS Number

81409-91-8

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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

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