| Identification | Back Directory | [Name]
1-(3-Hydroxypropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione | [CAS]
59413-14-8 | [Synonyms]
Pentoxifylline Impurity D
Pentoxifylline EP impurity D
1-(3-Hydroxypropyl)theobromine
1-(3-hydroxypropyl)-3,7-dimethylpurine-2,6-dione
Pentoxifylline Impurity 4（Pentoxifylline EP Impurity D）
1-(3-Hydroxypropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
1H-Purine-2,6-dione, 3,7-dihydro-1-(3-hydroxypropyl)-3,7-dimethyl-
1-(3-Hydroxypropyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione | [Molecular Formula]
C10H14N4O3 | [MDL Number]
MFCD01682404 | [MOL File]
59413-14-8.mol | [Molecular Weight]
238.24 |
| Chemical Properties | Back Directory | [Melting point ]
142-142.5 °C(Solv: methanol (67-56-1)) | [Boiling point ]
380.84°C (rough estimate) | [density ]
1.2560 (rough estimate) | [refractive index ]
1.6200 (estimate) | [storage temp. ]
Refrigerator | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
14.88±0.10(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C10H14N4O3/c1-12-6-11-8-7(12)9(16)14(4-3-5-15)10(17)13(8)2/h6,15H,3-5H2,1-2H3 | [InChIKey]
GHGVDQNEKGZLPE-UHFFFAOYSA-N | [SMILES]
N1(C)C2=C(N(C)C(=O)N(CCCO)C2=O)N=C1 |
| Hazard Information | Back Directory | [Uses]
1-(3-Hydroxypropyl)theobromine has an effect in stimulating the peripheral circulation in rats; Also, it is an intermediate used in the synthesis of 1-(3-Bromopropyl)theobromine (B686745), which is a compound useful in organic synthesis. |
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