Product Code

TRC-D528803

CAS Number

1407166-95-3

Product Format

Neat

Molecular Formula

C20 D6 H13 F2 N3 O5

Molecular Weight

425.416

Product Categories

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

Product Type

Stable Isotope Labelled

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Dolutegravir-D6 (2,4-difluorobenzyl-Alpha,Alpha-D2,4-(methyl-D3)[1,3]oxazine-4-D)

CAS Number

1407166-95-3

Molecular Formula

C20 D6 H13 F2 N3 O5

Molecular Weight

425.416

Accurate Mass

425.167

SMILES

[2H]C([2H])([2H])[C@]1([2H])CCO[C@H]2CN3C=C(C(=O)NC([2H])([2H])c4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)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/i1D3,7D2,10D

IUPAC

(4R,12aS)-4-deuterio-N-[dideuterio-(2,4-difluorophenyl)methyl]-7-hydroxy-6,8-dioxo-4-(trideuteriomethyl)-2,3,12,12a-tetrahydropyrido[5,6]pyrazino[2,6-c][1,3]oxazine-9-carboxamide

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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