Product Code

TRC-D528822

Product Format

Neat

Molecular Formula

C20H16D3F2N3O5

Molecular Weight

422.4

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials , Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

1357289-29-2

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Dolutegravir-d3 RR Isomer

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