Analyte Name

N-De-2,4-difluorobenzyl Dolutegravir

CAS Number

1485081-26-2

Molecular Formula

C13 H15 N3 O5

Molecular Weight

293.275

Accurate Mass

293.101

SMILES

C[C@@H]1CCO[C@H]2CN3C=C(C(=O)N)C(=O)C(=C3C(=O)N12)O

InChI

InChI=1S/C13H15N3O5/c1-6-2-3-21-8-5-15-4-7(12(14)19)10(17)11(18)9(15)13(20)16(6)8/h4,6,8,18H,2-3,5H2,1H3,(H2,14,19)/t6-,8+/m1/s1

IUPAC

(4R,12aS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,12,12a-tetrahydro-2H-pyrido[5,6]pyrazino[2,6-b][1,3]oxazine-9-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Metabolite

Product Format

Neat