Substance
- Substance Name: roflumilast
- Formula: C17H14Cl2F2N2O3
- Molecular Weight: 403.2 g/mol
- Identifiers:
- inchi: InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
- inchikey: MNDBXUUTURYVHR-UHFFFAOYSA-N
- casrn: 162401-32-3
- csmiles: C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F
- ismiles: C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F
- pubchemId: 449193
- iupacname: 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
- wikidataId: Q693482
- chemspiderId: 395793
- dsstoxcmpId: DTXCID6024123
- chemblId: CHEMBL193240
- ecnumber: 685-382-2
roflumilast
Systems and Datasets
- roflumilast (Datasets: 2)
- Dataset 12 in paper 10.1021/acs.jced.9b00710 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 13 in paper 10.1021/acs.jced.9b00710 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- roflumilast + ethanol (Datasets: 1)
- Dataset 16 in paper 10.1021/acs.jced.9b00710 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- roflumilast + propan-1-ol (Datasets: 1)
- Dataset 17 in paper 10.1021/acs.jced.9b00710 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- roflumilast + butan-1-ol (Datasets: 1)
- Dataset 18 in paper 10.1021/acs.jced.9b00710 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- roflumilast + butanone (Datasets: 1)
- Dataset 19 in paper 10.1021/acs.jced.9b00710 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- roflumilast + pentan-2-one (Datasets: 1)
- Dataset 20 in paper 10.1021/acs.jced.9b00710 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- roflumilast + dimethyl sulfoxide (Datasets: 1)
- Dataset 21 in paper 10.1021/acs.jced.9b00710 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- roflumilast + dimethylformamide (Datasets: 1)
- Dataset 22 in paper 10.1021/acs.jced.9b00710 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)