1-(3-Chloro-2-hydroxypropyl)-3,5-bis(2-oxiranylmethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione-d15

CAS: 78627-42-6

Ref. TR-C793827

Product Information

• Name: 1-(3-Chloro-2-hydroxypropyl)-3,5-bis(2-oxiranylmethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione-d15
• Synonyms: NSC 322321-d15, NSC 326362-d15
• Brand: TRC
• Description: Applications 1-(3-Chloro-2-hydroxypropyl)-3,5-bis(2-oxiranylmethyl)-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)

Chemical properties

• Molecular weight: 348.817
• Formula: C₁₂D₁₅HClN₃O₆
• Color/Form: Neat
• InChI: InChI=1S/C12H16ClN3O6/c13-1-7(17)2-14-10(18)15(3-8-5-21-8)12(20)16(11(14)19)4-9-6-22-9/h7-9,17H,1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D,8D,9D
• InChI key: InChIKey=WLCWYEZWYXGSIK-BXSQCBKHSA-N
• SMILES: [2H]C([2H])(Cl)C([2H])(O)C([2H])([2H])n1c(=O)n(C([2H])([2H])C2([2H])OC2([2H])[2H])c(=O)n(C([2H])([2H])C2([2H])OC2([2H])[2H])c1=O