Analyte Name

Samidorphan-d4

Molecular Formula

C21H22D4N2O4

Molecular Weight

374.47

Accurate Mass

374.2144

SMILES

[2H]C1([2H])C(CN2CC[C@]34CC(=O)CC[C@@]3(O)[C@H]2Cc5ccc(C(=O)N)c(O)c45)C1([2H])[2H]

InChI

InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1/i1D2,2D2

IUPAC

(1R,9R,10S)-3,10-dihydroxy-13-oxo-17-[(2,2,3,3-tetradeuteriocyclopropyl)methyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide

Unlabelled CAS Number

852626-89-2

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat