Analyte Name

Bictegravir-d6

Molecular Formula

[13C]2C19H14D4F3N3O5

Molecular Weight

455.417

Accurate Mass

455.158

SMILES

O=C(NC([2H])(C1=C(C([2H])=C(C([2H])=C1F)F)F)[2H])C2=CN([13C]([H])([H])[13C@]3(O[C@@]4([H])C[C@@]([H])(N3C5=O)CC4)[H])C5=C(C2=O)O

InChI

InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1/i3D,4D,6D2,8D2

IUPAC

(1S,11R,13R)-10,10-dideuterio-N-[dideuterio-(3,5-dideuterio-2,4,6-trifluorophenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide

Unlabelled CAS Number

1611493-60-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat