ChemicalBook--->CAS DataBase List--->93079-86-8

93079-86-8

93079-86-8 Structure

93079-86-8 Structure
IdentificationBack Directory
[Name]

3,7-Dihydro-3,7-diMethyl-6-[(5-oxohexyl)oxy]-2H-purin-2-one
[CAS]

93079-86-8
[Synonyms]

Pentoxifylline Impurity G
Pentoxifylline EP impurity G
3,7-dimethyl-6-(5-oxohexoxy)purin-2-one
Pentoxifylline Impurity 7(Pentoxifylline EP Impurity A)
Pentoxifylline Impurity 7(Pentoxifylline EP Impurity G)
3,7-dimethyl-6-((5-oxohexyl)oxy)-3,7-dihydro-2H-purin-2-one
3,7-Dihydro-3,7-diMethyl-6-[(5-oxohexyl)oxy]-2H-purin-2-one
2H-Purin-2-one, 3,7-dihydro-3,7-dimethyl-6-[(5-oxohexyl)oxy]-
[Molecular Formula]

C13H18N4O3
[MDL Number]

MFCD18379379
[MOL File]

93079-86-8.mol
[Molecular Weight]

278.31
Chemical PropertiesBack Directory
[Melting point ]

189 - 192°C
[Boiling point ]

518.4±56.0 °C(Predicted)
[density ]

1.29±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.69±0.20(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-20-12-10-11(14-8-16(10)2)17(3)13(19)15-12/h8H,4-7H2,1-3H3
[InChIKey]

AVWIQTQAJMTMIH-UHFFFAOYSA-N
[SMILES]

N1(C)C2=C(N(C)C(=O)N=C2OCCCCC(=O)C)N=C1
Hazard InformationBack Directory
[Uses]

A byproduct of Pentoxifylline synthesis.
Spectrum DetailBack Directory
[Spectrum Detail]

3,7-Dihydro-3,7-diMethyl-6-[(5-oxohexyl)oxy]-2H-purin-2-one(93079-86-8)1HNMR
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