Product Code
TRC-D528822-25MG
Product Format
Neat
Molecular Formula
C20H16D3F2N3O5
Molecular Weight
422.4
Product Categories
TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials
Product Type
Stable Isotope LabelledUnlabelled CAS Number
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Analyte Name
Dolutegravir-d3 RR Isomer
Molecular Formula
C20H16D3F2N3O5
Molecular Weight
422.4
Accurate Mass
422.15
SMILES
O=C1C(O)=C2C(N3[C@H](C)C([2H])C([2H])([2H])O[C@]3([H])CN2C=C1C(NCC4=CC=C(F)C=C4F)=O)=O
InChI
InChI=1S/C20H19F2N3O5/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)/t10?,15-/m1/s1/i4D,5D2/t4?,10?,15-
IUPAC
(4R,12aR)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-2,2,3-d3-9-carboxamide
Unlabelled CAS Number
1357289-29-2
SIL Type
Deuterium
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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