1-(4'-Carboxybutyl)-3,7-dimethylxanthine
5-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentanoic acid
Also Known As: CB-Dmx|Pentoxifylline M4|1-(4'-Carboxybutyl)-3,7-dimethylxanthine|starbld0001301|1-(4-carboxybutyl)-3,7-dimethylxanthine|4-Hydroxy-1-naphthoic acid|3,7-Dimethyl-1-(4-carboxybutyl)xanthine|5-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentanoic acid|PENTOXIFYLLINE METABOLITE M-4|Pentoxifylline C-5 carboxylic acid (M4)|5-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)pentanoic acid|1H-Purine-1-pentanoic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-|5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)pentanoic acid|1,2,3,6-Tetrahydro-2,6-dioxo-3,7-dimethyl-7H-purine-1-pentanoic acid|1H-Purine-1-pentanoicacid,2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-|1-(4'-Carboxybutyl)-3,7-dimethylxanthine; 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-pentanoic Acid; Pentoxifylline M4
| Molecular Formula | C12H16N4O4 |
|---|---|
| Molecular Weight | 280.11716 g/mol |
| LogP | -0.3114 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.11716 |
| Monoisotopic Mass | 280.11716 |
| Heavy Atoms | 20 |
| Complexity | 768.08093 |
Chemical Identifiers
| CAS Number | 38975-44-9 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)O |
Product Overview
1-(4'-Carboxybutyl)-3,7-dimethylxanthine (CAS 38975-44-9), with molecular formula C12H16N4O4 and molecular weight 280.11716 g/mol. IUPAC: 5-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentanoic acid.
1-(4'-Carboxybutyl)-3,7-dimethylxanthine is a custom synthesis product. We offer services from milligram to kilogram scale.
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