SpectraBase Compound ID | 5ZhB1jG504t |
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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 |
SpectraBase Spectrum ID | 3nlzydz53rm |
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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 | splash10-008c-3940000000-0975a53ef78aedb98e66 |
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 | 1508943 |