4’-Hydroxy N-Desisopropyl Delavirdine 4’-O-Sulfate-d8

Analyte Name

4'-Hydroxy N-Desisopropyl Delavirdine 4'-O-Sulfate-d8

Molecular Formula

C19 D8 H14 N6 O7 S2

Molecular Weight

518.593

Accurate Mass

518.149

SMILES

[2H]C1([2H])N(C(=O)c2cc3cc(NS(=O)(=O)C)ccc3[nH]2)C([2H])([2H])C([2H])([2H])N(c4nccc(OS(=O)(=O)O)c4N)C1([2H])[2H]

InChI

InChI=1S/C19H22N6O7S2/c1-33(27,28)23-13-2-3-14-12(10-13)11-15(22-14)19(26)25-8-6-24(7-9-25)18-17(20)16(4-5-21-18)32-34(29,30)31/h2-5,10-11,22-23H,6-9,20H2,1H3,(H,29,30,31)/i6D2,7D2,8D2,9D2

IUPAC

[3-amino-2-[2,2,3,3,5,5,6,6-octadeuterio-4-[5-(methanesulfonamido)-1H-indole-2-carbonyl]piperazin-1-yl]pyridin-4-yl] hydrogen sulfate

Unlabelled CAS Number

188780-38-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat