Defluoro Dolutegravir (>85%)
Product Code
TRC-D228715
CAS Number
Product Format
Neat
Molecular Formula
C20 H20 F N3 O5
Molecular Weight
401.39
API Family
DolutegravirProduct Categories
Impurity Reference Materials , Bioactive small molecules, TRC, Anti-HIV agents, Pharmaceutical Toxicology Reference Materials
Product Type
ImpurityDocumentation
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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
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