ChemicalBook--->CAS DataBase List--->77196-87-3

77196-87-3

77196-87-3 Structure

77196-87-3 Structure
IdentificationBack Directory
[Name]

1,1'-Methylene Bis[TheobroMine]
[CAS]

77196-87-3
[Synonyms]

Pentoxifylline EP impurity E
1,1'-Methylene Bis[TheobroMine]
Pentoxifylline Impurity 5(Pentoxifylline EP Impurity E)
Pentoxifylline Impurity 5(Pentoxifylline EP Impurity A)
1,1'-methylenebis(3,7-dimethyl-1H-purine-2,6(3H,7H)-dione)
1,1'-Methylenebis[3,7-dihydro-3,7-diMethyl-1H-purine-2,6-dione
1H-Purine-2,6-dione, 1,1'-methylenebis[3,7-dihydro-3,7-dimethyl-
1-[(3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]-3,7-dimethylpurine-2,6-dione
[Molecular Formula]

C15H16N8O4
[MDL Number]

MFCD27978073
[MOL File]

77196-87-3.mol
[Molecular Weight]

372.34
Chemical PropertiesBack Directory
[Melting point ]

>300oC (dec.)
[Boiling point ]

727.1±70.0 °C(Predicted)
[density ]

1.69±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

TFA (Slightly)
[form ]

Solid
[pka]

0.65±0.70(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C15H16N8O4/c1-18-5-16-10-8(18)12(24)22(14(26)20(10)3)7-23-13(25)9-11(17-6-19(9)2)21(4)15(23)27/h5-6H,7H2,1-4H3
[InChIKey]

JQLBZHMVLVGVBB-UHFFFAOYSA-N
[SMILES]

C(N1C(=O)C2=C(N(C)C1=O)N=CN2C)N1C(=O)C2=C(N(C)C1=O)N=CN2C
Hazard InformationBack Directory
[Uses]

Pentoxifylline
Spectrum DetailBack Directory
[Spectrum Detail]

1,1'-Methylene Bis[TheobroMine](77196-87-3)1HNMR
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