Substance
- Substance Name: allopurinol
- Formula: C5H4N4O
- Molecular Weight: 136.11 g/mol
- Identifiers:
- inchi: InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
- inchikey: OFCNXPDARWKPPY-UHFFFAOYSA-N
- casrn: 184789-03-5
- csmiles: C1=C2C(=NC=NC2=O)NN1
- ismiles: C1=C2C(=NC=NC2=O)NN1
- pubchemId: 2094
- iupacname: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
- wikidataId: Q412486
- chemspiderId: 2010
- dsstoxcmpId: DTXCID502573
- chemblId: CHEMBL1467
- ecnumber: 206-250-9
allopurinol
Systems and Datasets
- allopurinol + methanol (Datasets: 1)
- Dataset 1 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + ethanol (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + propan-2-ol (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + propan-1-ol (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + butan-1-ol (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + acetone (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + acetonitrile (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + dimethylformamide (Datasets: 1)
- Dataset 8 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + water (Datasets: 1)
- Dataset 9 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + hexan-1-ol (Datasets: 1)
- Dataset 10 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + heptan-1-ol (Datasets: 1)
- Dataset 11 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + butanone (Datasets: 1)
- Dataset 12 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + N-methylpyrrolidone (Datasets: 1)
- Dataset 13 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- allopurinol + 1,4-dioxane (Datasets: 1)
- Dataset 14 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- allopurinol + cyclohexane (Datasets: 1)
- Dataset 15 in paper 10.1021/acs.jced.8b00430 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- allopurinol + dimethylformamide + water (Datasets: 1)
- Dataset 1 in paper 10.1016/j.jct.2018.11.028 (Dataseries: 1, Datapoints: 81, Quantity: Mole fraction)
- allopurinol + N-methylpyrrolidone + water (Datasets: 1)
- Dataset 2 in paper 10.1016/j.jct.2018.11.028 (Dataseries: 1, Datapoints: 81, Quantity: Mole fraction)
- allopurinol + propan-2-ol + water (Datasets: 1)
- Dataset 3 in paper 10.1016/j.jct.2018.11.028 (Dataseries: 1, Datapoints: 81, Quantity: Mole fraction)
- allopurinol + ethanol + water (Datasets: 1)
- Dataset 4 in paper 10.1016/j.jct.2018.11.028 (Dataseries: 1, Datapoints: 81, Quantity: Mole fraction)
- allopurinol + choline chloride + glycerol (Datasets: 1)
- Dataset 9 in paper 10.1016/j.jct.2019.01.018 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- allopurinol + choline chloride + 1,2-ethanediol (Datasets: 1)
- Dataset 10 in paper 10.1016/j.jct.2019.01.018 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)