| Identification | Back 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 Properties | Back 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 |
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