Raltegravir-d3 Potassium Salt

Analyte Name

Raltegravir potassium salt N-methyl-d3

CAS Number

1246816-98-7

Molecular Formula

C20 2H3 H17 F N6 O5 . K

Molecular Weight

485.53

Accurate Mass

485.1305

SMILES

[K+].[2H]C([2H])([2H])N1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)[O-]

InChI

InChI=1S/C20H21FN6O5.K/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11;/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30);/q;+1/p-1/i4D3;

IUPAC

potassium;4-[(4-fluorophenyl)methylcarbamoyl]-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxo-1-(trideuteriomethyl)pyrimidin-5-olate

Unlabelled CAS Number

871038-72-1

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Raltegravir; Raltegravir Potassium Salt