WHC is still in active development. Read this to understand our approach.
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isomerdesign

Acefylline

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Acefylline

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Acefylline

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Data

InChI: InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)

Synonyms: (1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid, 7-Theophyllineacetic acid,Carboxymethyltheophylline,Acetyloxytheophylline, Theophyllineacetic acid, 7-Theophyllinessigsaeure, Theophyllin-7-ylacetic acid, MFCD00022832, 7-Theophyllinylacetic acid, Theophylline-7-acetic acid, 7-Theophyllinylessigsaeure, 2-(1,3-Dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid, EINECS 211-490-2,Acefylline, UNII-M494UE2YEP, 652-37-9, Acefylline, NSC 52996, Acephylline, BRN 0279221, 7-(Carboxymethyl)theophylline, 1,3-Dimethylxanthine-7-acetic acid

Estimated data

Solubility: -1.386 (log(S) in mol/L prediction using SolTranNet)

Addictivity Prediction: 55.9% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.