Substance
- Substance Name: sorafenib
- Formula: C21H16ClF3N4O3
- Molecular Weight: 464.8 g/mol
- Identifiers:
- casrn: 284461-73-0
- pubchemId: 216239
- iupacname: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
- inchi: InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
- inchikey: MLDQJTXFUGDVEO-UHFFFAOYSA-N
- csmiles: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
- ismiles: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
- wikidataId: Q421136
- chemspiderId: 187440
- dsstoxcmpId: DTXCID5021128
- chemblId: CHEMBL1336
- ecnumber: 608-209-4
sorafenib
Systems and Datasets
- sorafenib (Datasets: 2)
- Dataset 1 in paper 10.1021/acs.jced.6b00630 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 2 in paper 10.1021/acs.jced.6b00630 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- 1-propanol + sorafenib (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.6b00630 (Dataseries: 1, Datapoints: 6, Quantity: Mole fraction)
- 1-butanol + sorafenib (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.6b00630 (Dataseries: 1, Datapoints: 6, Quantity: Mole fraction)
- 2-methyl-1-propanol + sorafenib (Datasets: 1)
- Dataset 8 in paper 10.1021/acs.jced.6b00630 (Dataseries: 1, Datapoints: 6, Quantity: Mole fraction)
- 1-pentanol + sorafenib (Datasets: 1)
- Dataset 9 in paper 10.1021/acs.jced.6b00630 (Dataseries: 1, Datapoints: 6, Quantity: Mole fraction)
- propan-2-ol + sorafenib (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.6b00630 (Dataseries: 1, Datapoints: 6, Quantity: Mole fraction)
- propan-2-ol + 1,4-dioxane + sorafenib (Datasets: 1)
- Dataset 15 in paper 10.1021/acs.jced.6b00630 (Dataseries: 6, Datapoints: 60, Quantity: Mole fraction)