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Pentoxifylline-d6 - cp98%,98%D, high purity , CAS No.1185878-98-1
a labeled metabolite of pentifylline
Basic Description Synonyms 3,7-Dihydro-3,7-(dimethyl-d6)-1-(5-oxohexyl)-1H-purine-2,6-dione | 3,7-di(?H?)methyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione | 3,7-Bis[(~2~H_3_)methyl]-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione | HY-B0715S | 1-(5-oxohexyl)-3,7-bis(tride Specifications & Purity ≥98 atom% D,≥98% Storage Temp Store at 2-8°C Shipped In Wet ice Product Description A labeled metabolite of Pentifylline. Methylxanthine derivative that improves blood flow by decreasing blood viscosity. Phosphodiesterase inhibitor. Inhibits the synthesis of tumor necrosis factor α (TNF-α).
Names and Identifiers IUPAC Name 1-(5-oxohexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dione INCHI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3/i2D3,3D3 InChi Key BYPFEZZEUUWMEJ-XERRXZQWSA-N Canonical SMILES CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C Isomeric SMILES [2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2C([2H])([2H])[2H])CCCCC(=O)C PubChem CID 46782702 Molecular Weight 284.34
Chemical and Physical Properties Solubility Soluble in Ethanol and Methanol Melt Point(°C) 81-83°C (lit.)
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F2230278