Analyte Name

Descyclopropylmethyl Nalfurafine-d3

Molecular Formula

C24 D3 H23 N2 O5

Molecular Weight

425.492

Accurate Mass

425.203

SMILES

[2H]C([2H])([2H])N([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3)c45)C(=O)\C=C\c6cocc6

InChI

InChI=1S/C24H26N2O5/c1-26(19(28)5-2-14-7-11-30-13-14)16-6-8-24(29)18-12-15-3-4-17(27)21-20(15)23(24,9-10-25-18)22(16)31-21/h2-5,7,11,13,16,18,22,25,27,29H,6,8-10,12H2,1H3/b5-2+/t16-,18-,22+,23+,24-/m1/s1/i1D3

IUPAC

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

Unlabelled CAS Number

163713-06-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat