Analyte Name

10alpha-Hydroxy-nalfurafine-d3

Molecular Formula

C28 D3 H29 N2 O6

Molecular Weight

495.582

Accurate Mass

495.245

SMILES

[2H]C([2H])([2H])N([C@@H]1CC[C@@]2(O)[C@H]3[C@@H](O)c4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CC6)c45)C(=O)\C=C\c7cocc7

InChI

InChI=1S/C28H32N2O6/c1-29(21(32)7-4-17-9-13-35-15-17)19-8-10-28(34)25-23(33)18-5-6-20(31)24-22(18)27(28,26(19)36-24)11-12-30(25)14-16-2-3-16/h4-7,9,13,15-16,19,23,25-26,31,33-34H,2-3,8,10-12,14H2,1H3/b7-4+/t19-,23+,25-,26+,27+,28-/m1/s1/i1D3

IUPAC

(E)-N-[(4R,4aS,7R,7aR,12bS,13S)-3-(cyclopropylmethyl)-4a,9,13-trihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-(trideuteriomethyl)prop-2-enamide

Unlabelled CAS Number

1054312-75-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat