Substance
- Substance Name: Deferasirox
- Formula: C21H15N3O4
- Molecular Weight: 373.4 g/mol
- Identifiers:
- inchi: InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)
- inchikey: BOFQWVMAQOTZIW-UHFFFAOYSA-N
- casrn: 201530-41-8
- csmiles: C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O)O
- ismiles: C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O)O
- pubchemId: 214348
- iupacname: 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
- wikidataId: Q5251502
- chemspiderId: 10770206
- dsstoxcmpId: DTXCID1028522
- chemblId: CHEMBL550348
- ecnumber: 685-491-5
Deferasirox
Systems and Datasets
- Deferasirox + 1,2-propanediol + ethanol (Datasets: 1)
- Dataset 1 in paper 10.1021/acs.jced.8b01001 (Dataseries: 1, Datapoints: 11, Quantity: Mass fraction)
- Deferasirox + 1,2-propanediol + methanol (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.8b01001 (Dataseries: 1, Datapoints: 11, Quantity: Mass fraction)
- Deferasirox + 1,2-propanediol + acetonitrile (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.8b01001 (Dataseries: 1, Datapoints: 11, Quantity: Mass fraction)
- Deferasirox + ethanol + methanol (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.8b01001 (Dataseries: 1, Datapoints: 11, Quantity: Mass fraction)
- Deferasirox + ethanol + acetonitrile (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.8b01001 (Dataseries: 1, Datapoints: 11, Quantity: Mass fraction)
- Deferasirox + methanol + acetonitrile (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.8b01001 (Dataseries: 1, Datapoints: 11, Quantity: Mass fraction)
- Deferasirox + acetonitrile + water (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.8b01001 (Dataseries: 1, Datapoints: 11, Quantity: Mass fraction)
- Deferasirox + ethanol (Datasets: 1)
- Dataset 8 in paper 10.1021/acs.jced.8b01001 (Dataseries: 1, Datapoints: 1, Quantity: Mass fraction)
- Deferasirox + 1,2-propanediol (Datasets: 1)
- Dataset 9 in paper 10.1021/acs.jced.8b01001 (Dataseries: 1, Datapoints: 1, Quantity: Mass fraction)
- Deferasirox + methanol (Datasets: 1)
- Dataset 10 in paper 10.1021/acs.jced.8b01001 (Dataseries: 1, Datapoints: 1, Quantity: Mass fraction)
- Deferasirox + acetonitrile (Datasets: 1)
- Dataset 11 in paper 10.1021/acs.jced.8b01001 (Dataseries: 1, Datapoints: 2, Quantity: Mass fraction)
- Deferasirox + water (Datasets: 1)
- Dataset 12 in paper 10.1021/acs.jced.8b01001 (Dataseries: 1, Datapoints: 1, Quantity: Mass fraction)