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

Aprobarbital

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Aprobarbital

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drugmap

Aprobarbital

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Aprobarbital

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Data

InChI: InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)

Synonyms: APROBARBITAL [WHO-DD], Aprobarbital (INN),APROBARBITAL [VANDF],77-02-1,5-Allyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione,Aprobarbitale [DCIT], Alurate, Aprobarbital [INN:DCF],2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-,APROBARBITAL [MART.],Allylisopropylbarbituric acid,APROBARBITAL [INN], Aprobarbitone,5-(prop-2-en-1-yl)-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione, Allylpropymal, Aprobarbita,NSC 120769,SCHEMBL22556213,Numal,2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)- (9CI),Allylisopropylmalonylurea,Barbituric acid, 5-allyl-5-isopropyl-,HY-U00166,CHEMBL7863,5-Allyl-5-isopropylbarbituric acid,Aprobarbitalum,5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione,5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione,BRN 0180858, Isonal (swedish),Aprobarbitale, 5-Allyl-5-isopropylbarbiturate, Numal,Alurate (TN),NSC-120769, Aprozal, Alurate (TN), Allonal,CCRIS 7088,Isonal (swedish),SCHEMBL78101,5-Propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione,2,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-, Allypropymalum,CHEBI:2791, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-(9CI),HSDB 3290,Allypropymal,Aprobarbital solution, 1 mg/mL in methanol, certified reference material, ampule of 1 mL, Isopropylallylbarbituric acid,5-(1-methylethyl)-5-prop-2-en-1-ylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-Allyl-5-isopropylbarbituricacid,Aprobarbital,Aprozal,APROBARBITAL [HSDB],NSC120769, 5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione,D00698, 5-Isopropyl-5-allylbarbituric acid,5-Allyl-5-isopropylbarbiturate, Aprobarbitalum,Aprobarbitalum [INN-Latin],Allylpropymal,Alurate,5-(1-Methylethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione,5-ALLYL-5-ISOPROPYL-BARBITURIC ACID,Allional,DB01352, Allylisopropylbarbituric acid,WLN: T6VMVMV FHJ FY1&1 F2U1,Allonal,Aprobarbita,AKOS003404772,APROBARBITAL, Allypropymal,C07826, Aprobarbitale,Allypropymalum, 5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione,DTXSID8022616,SCHEMBL15364625,APROBARBITAL [MI],5-Isopropyl-5-allylbarbituric acid,Q411940, Aprobarbitalum [INN-Latin],Q0YKG9L6RF, 5-(1-Methylethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione,Isopropylallylbarbituric acid,UNII-Q0YKG9L6RF, Allylisopropylmalonylurea,Aprobarbitone,EINECS 200-997-4,Aprobarbital (INN), Aprobarbitale [DCIT],Aprobarbital [INN:DCF:NF], Alurate elixir verdum,Alurate elixir verdum, 5-allyl-5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione,5-allyl-5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione,ZINC18167382,CS-7223


Estimated data

Solubility: -1.713 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 38.4% (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.