| SpectraBase Compound ID | 5ZhB1jG504t |
|---|---|
| InChI | InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 |
| InChIKey | BYPFEZZEUUWMEJ-UHFFFAOYSA-N |
| Mol Weight | 278.31 g/mol |
| Molecular Formula | C13H18N4O3 |
| Exact Mass | 278.13789 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JmAAtq3B5MI |
|---|---|
| Name | Pentoxifylline |
| CAS Registry Number | 6493-05-6 |
| Comments | Structure changed after expert review |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H18N4O3 |
| InChI | InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 |
| InChIKey | BYPFEZZEUUWMEJ-UHFFFAOYSA-N |
| Molecular Weight | 278.312 g/mol |
| SMILES | C1(N(C(c2c(N1C)nc[n]2C)=O)CCCCC(C)=O)=O |
| SPLASH | splash10-007o-5940000000-3eeb157e050e31f57e15 |
| Synonyms | 3,7-Dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)- Theobromine, 1-(5-oxohexyl)- 3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione Dimethyloxohexylxanthine 3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione 3,7-Dimethyl-1-(5-oxohexyl)xanthine 1-(5-Oxohexyl)-3,7-dimethylxanthine 1-(5-Oxohexyl)theobromine Oxpentifylline Pentoxifyllin Pentoxiphyllium Pentoxyphylline Trental Vazofirin Azupentat Durapental Rentylin Torental Pentoxiphylline Pentoxyfilline Pentoxyphyllin |
| Wiley ID | 1509931 |