Analyte Name

O-Ethyl Dolutegravir

CAS Number

1802141-49-6

Molecular Formula

C22 H23 F2 N3 O5

Molecular Weight

447.432

Accurate Mass

447.161

SMILES

CCOC1=C2N(C[C@@H]3OCC[C@@H](C)N3C2=O)C=C(C(=O)NCc4ccc(F)cc4F)C1=O

InChI

InChI=1S/C22H23F2N3O5/c1-3-31-20-18-22(30)27-12(2)6-7-32-17(27)11-26(18)10-15(19(20)28)21(29)25-9-13-4-5-14(23)8-16(13)24/h4-5,8,10,12,17H,3,6-7,9,11H2,1-2H3,(H,25,29)/t12-,17+/m1/s1

IUPAC

(4R,12aS)-N-[(2,4-difluorophenyl)methyl]-7-ethoxy-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

Product Format

Neat