Analyte Name

Sograzepide-d3

Molecular Formula

C28 D3 H27 N6 O3

Molecular Weight

501.595

Accurate Mass

501.257

SMILES

[2H]C([2H])([2H])Nc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c4ccccc4N(CC(=O)C(C)(C)C)C2=O)c1

InChI

InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1/i4D3

IUPAC

1-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-[3-(trideuteriomethylamino)phenyl]urea

Unlabelled CAS Number

155488-25-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat