1,3,5-Tris(3-chloro-2-hydroxypropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione-d15

CAS:
7423-53-2

Ref. TR-C793837

Product Information

Name:1,3,5-Tris(3-chloro-2-hydroxypropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione-d15

Controlled Product

Synonyms:

1,3,5-tris(3-chloro-1,1,2,3,3-pentadeuterio-2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione

Brand:TRC

Description:

Applications 1,3,5-Tris(3-chloro-2-hydroxypropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione-d15 is an intermediate for the synthesis of Triglycidyl Isocyanurate-d15 (T793817). Isotope labelled Triglycidyl isocyanurate is a reagent used in the synthesis of N-Benzyl Metaxalone (B285000), which is a muscle relaxant used to relax muscles and relieve pain.
References Toth, P.E., et al.: Clin. Ther., 26, 1355 (2004)

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Chemical properties

Molecular weight:421.739

Formula:C₁₂D₁₅H₃Cl₃N₃O₆

Color/Form:Neat

InChI:InChI=1S/C12H18Cl3N3O6/c13-1-7(19)4-16-10(22)17(5-8(20)2-14)12(24)18(11(16)23)6-9(21)3-15/h7-9,19-21H,1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D,8D,9D

InChI key:InChIKey=IEWXGNMLWRMTTJ-BXSQCBKHSA-N

SMILES:[2H]C([2H])(Cl)C([2H])(O)C([2H])([2H])n1c(=O)n(C([2H])([2H])C([2H])(O)C([2H])([2H])Cl)c(=O)n(C([2H])([2H])C([2H])(O)C([2H])([2H])Cl)c1=O

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