Analyte Name

Bictegravir-D4

Molecular Formula

C21 D4 H14 F3 N3 O5

Molecular Weight

453.405

Accurate Mass

453.145

SMILES

[2H]c1c(F)c([2H])c(F)c(c1F)C([2H])([2H])NC(=O)C2=CN3C[C@H]4O[C@@H]5CC[C@@H](C5)N4C(=O)C3=C(O)C2=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

IUPAC

(1S,11R,13R)-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