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Product Overview

Product Code

TRC-D228715

CAS Number

1863916-88-4

Product Format

Neat

Molecular Formula

C20 H20 F N3 O5

Molecular Weight

401.39

API Family

Dolutegravir

Product Categories

Impurity Reference Materials , Bioactive small molecules, TRC, Anti-HIV agents, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity, Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

2-Desfluorodolutegravir

CAS Number

1863916-88-4

Molecular Formula

C20 H20 F N3 O5

Molecular Weight

401.39

Accurate Mass

401.1387

SMILES

C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCc4ccc(F)cc4)C(=O)C(=C3C(=O)N12)O

InChI

InChI=1S/C20H20FN3O5/c1-11-6-7-29-15-10-23-9-14(17(25)18(26)16(23)20(28)24(11)15)19(27)22-8-12-2-4-13(21)5-3-12/h2-5,9,11,15,26H,6-8,10H2,1H3,(H,22,27)/t11-,15+/m1/s1

IUPAC

(4R,12aS)-N-[(4-fluorophenyl)methyl]-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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Dolutegravir

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Defluoro Dolutegravir (>85%)

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