Analyte Name

3-O-Cyclopropylmethylnaltrexone-d3

Molecular Formula

C24 D3 H26 N O4

Molecular Weight

398.51

Accurate Mass

398.228

SMILES

[2H]C([2H])(Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=O)CC[C@@]36O)C7([2H])CC7

InChI

InChI=1S/C24H29NO4/c26-17-7-8-24(27)19-11-16-5-6-18(28-13-15-3-4-15)21-20(16)23(24,22(17)29-21)9-10-25(19)12-14-1-2-14/h5-6,14-15,19,22,27H,1-4,7-13H2/t19-,22+,23+,24-/m1/s1/i13D2,15D

IUPAC

(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-9-[dideuterio-(1-deuteriocyclopropyl)methoxy]-4a-hydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Unlabelled CAS Number

767615-69-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat