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200556-62-3

200556-62-3 Structure

200556-62-3 Structure
IdentificationBack Directory
[Name]

Pentoxifylline Impurity 8(Pentoxifylline EP Impurity H)
[CAS]

200556-62-3
[Synonyms]

EP impurity H
1,7-Bis-(5-oxohexyl)-3-methylxanthi
Pentoxifylline Impurity 8(Pentoxifylline EP Impurity A)
Pentoxifylline Impurity 8(Pentoxifylline EP Impurity H)
3,7-Dihydro-3-methyl-1,7-bis(5-oxohexyl)-1H-purine-2,6-dione
3-methyl-1,7-bis(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1,7-bis(5-oxohexyl)-
[Molecular Formula]

C18H26N4O4
[MDL Number]

MFCD27967269
[MOL File]

200556-62-3.mol
[Molecular Weight]

362.42
Chemical PropertiesBack Directory
[Boiling point ]

607.4±65.0 °C(Predicted)
[density ]

1.25±0.1 g/cm3(Predicted)
[pka]

0.54±0.70(Predicted)
[InChI]

InChI=1S/C18H26N4O4/c1-13(23)8-4-6-10-21-12-19-16-15(21)17(25)22(18(26)20(16)3)11-7-5-9-14(2)24/h12H,4-11H2,1-3H3
[InChIKey]

QANXTEAQVXUYGN-UHFFFAOYSA-N
[SMILES]

N1(CCCCC(=O)C)C2=C(N(C)C(=O)N(CCCCC(=O)C)C2=O)N=C1
Hazard InformationBack Directory
[Uses]

3,7-Dihydro-3-methyl-1,7-bis(5-oxohexyl)-1H-purine-2,6-dione is an impurity of Pentoxifylline (P276500), a metabolite of Pentifylline. Methylxanthine derivative that improves blood flow by decreasing blood viscosity (1). Phosphodiesterase inhibitor (2). Inhibits the synthesis of tumor necrosis factor α (TNF-α).
Spectrum DetailBack Directory
[Spectrum Detail]

Pentoxifylline Impurity 8(Pentoxifylline EP Impurity H)(200556-62-3)1HNMR
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