Analyte Name

6'-Hydroxy Delavirdine-d8

Molecular Formula

C22 D8 H20 N6 O4 S

Molecular Weight

480.61

Accurate Mass

480.239

SMILES

[2H]C1([2H])N(C(=O)c2cc3cc(NS(=O)(=O)C)ccc3[nH]2)C([2H])([2H])C([2H])([2H])N(c4nc(O)ccc4NC(C)C)C1([2H])[2H]

InChI

InChI=1S/C22H28N6O4S/c1-14(2)23-18-6-7-20(29)25-21(18)27-8-10-28(11-9-27)22(30)19-13-15-12-16(26-33(3,31)32)4-5-17(15)24-19/h4-7,12-14,23-24,26H,8-11H2,1-3H3,(H,25,29)/i8D2,9D2,10D2,11D2

IUPAC

N-[2-[2,2,3,3,5,5,6,6-octadeuterio-4-[6-hydroxy-3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide

Unlabelled CAS Number

188780-44-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat