Dolutegravir Sodium Salt

Analyte Name

Dolutegravir Sodium Salt

CAS Number

1051375-19-9

Molecular Formula

C20 H18 F2 N3 O5 . Na

Molecular Weight

441.36

Accurate Mass

441.1112

SMILES

[Na+].C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)[O-]

InChI

InChI=1S/C20H19F2N3O5.Na/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22;/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28);/q;+1/p-1/t10-,15+;/m1./s1

IUPAC

sodium;(4R,12aS)-9-[(2,4-difluorophenyl)methylcarbamoyl]-4-methyl-6,8-dioxo-3,4,12,12a-tetrahydro-2H-pyrido[5,6]pyrazino[2,6-b][1,3]oxazin-7-olate

Alternate CAS Number

Free amine: 1051375-16-6

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Dolutegravir

Purity

>95% (HPLC)