Substance
- Substance Name: Temozolomide
- Formula: C6H6N6O2
- Molecular Weight: 194.15 g/mol
- Identifiers:
- inchi: InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)
- inchikey: BPEGJWRSRHCHSN-UHFFFAOYSA-N
- casrn: 85622-93-1
- csmiles: CN1C(=O)N2C=NC(=C2N=N1)C(=O)N
- ismiles: CN1C(=O)N2C=NC(=C2N=N1)C(=O)N
- pubchemId: 5394
- iupacname: 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
- wikidataId: Q425088
- chemspiderId: 5201
- dsstoxcmpId: DTXCID3023714
- chemblId: CHEMBL810
- ecnumber: 630-358-9
Temozolomide
Systems and Datasets
- Temozolomide + methanol (Datasets: 2)
- Dataset 1 in paper 10.1016/j.jct.2018.11.026 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- Dataset 5 in paper 10.1016/j.jct.2019.07.017 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Temozolomide + ethanol (Datasets: 2)
- Dataset 2 in paper 10.1016/j.jct.2018.11.026 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- Dataset 7 in paper 10.1016/j.jct.2019.07.017 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Temozolomide + propan-1-ol (Datasets: 2)
- Dataset 3 in paper 10.1016/j.jct.2018.11.026 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- Dataset 9 in paper 10.1016/j.jct.2019.07.017 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Temozolomide + propan-2-ol (Datasets: 2)
- Dataset 4 in paper 10.1016/j.jct.2018.11.026 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- Dataset 8 in paper 10.1016/j.jct.2019.07.017 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Temozolomide + acetone (Datasets: 1)
- Dataset 5 in paper 10.1016/j.jct.2018.11.026 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- Temozolomide + acetonitrile (Datasets: 1)
- Dataset 6 in paper 10.1016/j.jct.2018.11.026 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- Temozolomide + ethyl acetate (Datasets: 2)
- Dataset 7 in paper 10.1016/j.jct.2018.11.026 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- Dataset 6 in paper 10.1016/j.jct.2019.07.017 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Temozolomide + dimethyl sulfoxide (Datasets: 1)
- Dataset 8 in paper 10.1016/j.jct.2018.11.026 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- Temozolomide + 1,4-dioxane (Datasets: 1)
- Dataset 9 in paper 10.1016/j.jct.2018.11.026 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- Temozolomide + dimethylformamide (Datasets: 1)
- Dataset 10 in paper 10.1016/j.jct.2018.11.026 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- Temozolomide + ethanol + dimethylformamide (Datasets: 1)
- Dataset 11 in paper 10.1016/j.jct.2018.11.026 (Dataseries: 8, Datapoints: 72, Quantity: Mole fraction)
- Temozolomide + ethyl acetate + methanol (Datasets: 1)
- Dataset 1 in paper 10.1016/j.jct.2019.07.017 (Dataseries: 6, Datapoints: 60, Quantity: Mole fraction)
- Temozolomide + ethyl acetate + ethanol (Datasets: 1)
- Dataset 2 in paper 10.1016/j.jct.2019.07.017 (Dataseries: 6, Datapoints: 60, Quantity: Mole fraction)
- Temozolomide + ethyl acetate + propan-2-ol (Datasets: 1)
- Dataset 3 in paper 10.1016/j.jct.2019.07.017 (Dataseries: 6, Datapoints: 60, Quantity: Mole fraction)
- Temozolomide + ethyl acetate + propan-1-ol (Datasets: 1)
- Dataset 4 in paper 10.1016/j.jct.2019.07.017 (Dataseries: 6, Datapoints: 60, Quantity: Mole fraction)