Analyte Name

N-[(4R,4aS,7R,7aR,12bS)-4a,9-dihydroxy-3-(1,1,2,3,3-pentadeuterioprop-2-enyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3,4-diiodobenzamide

Molecular Formula

C26 D5 H21 I2 N2 O4

Molecular Weight

689.335

Accurate Mass

689.03

SMILES

[2H]C(=C([2H])C([2H])([2H])N1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CC[C@H]4NC(=O)c6ccc(I)c(I)c6)c35)[2H]

InChI

InChI=1S/C26H26I2N2O4/c1-2-10-30-11-9-25-21-14-4-6-19(31)22(21)34-23(25)18(7-8-26(25,33)20(30)13-14)29-24(32)15-3-5-16(27)17(28)12-15/h2-6,12,18,20,23,31,33H,1,7-11,13H2,(H,29,32)/t18-,20-,23+,25+,26-/m1/s1/i1D2,2D,10D2

IUPAC

N-[(4R,4aS,7R,7aR,12bS)-4a,9-dihydroxy-3-(1,1,2,3,3-pentadeuterioprop-2-enyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3,4-diiodobenzamide

Unlabelled CAS Number

1261079-38-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat