Roflumilast

Molecular Mass: 403.2 g/mol

Formula: C₁₇H₁₄Cl₂F₂N₂O₃

Smiles: O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1

Synonymes:

Roflumilast, 162401-32-3, DAXAS, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, Daliresp, BY217, BYK20869, Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-, BY-217, ZORYVE, roflumilastum, B9302-107, 0P6C6ZOP5U, BYK-20869, ARQ-154 (Roflumilast foam), ARQ-151, DTXSID8044123, CHEBI:47657, 3-cyclopropylmethoxy-4-difluoromethoxy-N-(3,5-di-chloropyrid-4-yl)benzamide, 3-Cyclopropylmethoxy-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide, B-9302-107, RefChem:57566, DTXCID6024123, R03DX07, 685-382-2, C17H14Cl2F2N2O3, 3-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide, BY 217, MFCD00938270, Roflumilast (Daxas), B 9302-107, CHEMBL193240, ROF, Libertek, Roflumilast [USAN], Roflumilast [USAN:INN], UNII-0P6C6ZOP5U, Roflumilast (JAN/USAN/INN), Roflumilast?, APTA-2217, 1xmu, 1xoq, Daliresp (TN), Zoryve (TN), Roflumilast (Standard), 3g4l, ROFLUMILAST [MI], ROFLUMILAST [INN], ROFLUMILAST [JAN], ROFLUMILAST [VANDF], ROFLUMILAST [MART.], SCHEMBL19158, ROFLUMILAST [WHO-DD], MLS006010074, ROFLUMILAST [EMA EPAR], GTPL6962, orb1310022, Roflumilast - Bio-X trade mark, SCHEMBL27891482, SCHEMBL29349467, BDBM14774, Roflumilast, >=98% (HPLC), EX-A059, ROFLUMILAST [ORANGE BOOK], GLXC-07595, HMS3655P21, HMS3748C19, HMS3884F09, HMS5080C16, YFC06569, BYK 20869, EBC-11280, HY-15455R, MSK169323, s2131, ARQ-151/Zoryve (roflumilast cream), AKOS005146309, CCG-268678, CS-0963, DB01656, FR27749, PB29130, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridyl)-4-(difluoromethoxy)benzamide, NCGC00346566-01, NCGC00346566-09, AC-23383, AS-14120, BR164364, HY-15455, SMR002530074, SY008710, NS00040687, R0193, SW220196-1, D05744, AB01565852_02, EN300-7365610, F050816, Q693482, BRD-K03194791-001-02-2, BRD-K03194791-001-04-8, Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-, n-(3,5-dichloropyridin-4-yl)-4-difluoromethoxy-3-cyclopropylmethoxybenzamide, 3-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide, B9302-107, BY217, BYK20869, Daxas,

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	278.2	-	0.201	[386]
1-Butanol	283.2	-	0.276	[386]
1-Butanol	288.2	-	0.345	[386]
1-Butanol	293.2	-	0.4933	[386]
1-Butanol	298.2	-	0.6839	[386]
1-Butanol	303.2	-	0.9862	[386]
1-Butanol	308.2	-	1.286	[386]
1-Butanol	313.2	-	1.777	[386]
1-Butanol	318.2	-	2.45	[386]
1-Butanol	323.2	-	3.349	[386]
1-Propanol	278.2	-	0.268	[386]
1-Propanol	283.2	-	0.414	[386]
1-Propanol	288.2	-	0.509	[386]
1-Propanol	293.2	-	0.7065	[386]
1-Propanol	298.2	-	0.939	[386]
1-Propanol	303.2	-	1.303	[386]
1-Propanol	308.2	-	1.742	[386]
1-Propanol	313.2	-	2.404	[386]
1-Propanol	318.2	-	3.286	[386]
1-Propanol	323.2	-	4.541	[386]
Dimethyl sulfoxide	278.2	-	0.19	[386]
Dimethyl sulfoxide	283.2	-	0.241	[386]
Dimethyl sulfoxide	288.2	-	0.359	[386]
Dimethyl sulfoxide	293.2	-	0.51	[386]
Dimethyl sulfoxide	298.2	-	0.7463	[386]
Dimethyl sulfoxide	303.2	-	0.9624	[386]
Dimethyl sulfoxide	308.2	-	1.322	[386]
Dimethyl sulfoxide	313.2	-	1.84	[386]
Dimethyl sulfoxide	318.2	-	2.537	[386]
Dimethyl sulfoxide	323.2	-	3.477	[386]
Dimethylformamide	278.2	-	0.021	[386]
Dimethylformamide	283.2	-	0.032	[386]
Dimethylformamide	288.2	-	0.042	[386]
Dimethylformamide	293.2	-	0.068	[386]
Dimethylformamide	298.2	-	0.0989	[386]
Dimethylformamide	303.2	-	0.161	[386]
Dimethylformamide	308.2	-	0.222	[386]
Dimethylformamide	313.2	-	0.313	[386]
Dimethylformamide	318.2	-	0.439	[386]
Dimethylformamide	323.2	-	0.6038	[386]
Ethanol	278.2	-	0.457	[386]
Ethanol	283.2	-	0.615	[386]
Ethanol	288.2	-	0.7366	[386]
Ethanol	293.2	-	1.04	[386]
Ethanol	298.2	-	1.43	[386]
Ethanol	303.2	-	2.03	[386]
Ethanol	308.2	-	2.631	[386]
Ethanol	313.2	-	3.603	[386]
Ethanol	318.2	-	4.935	[386]
Ethanol	323.2	-	6.613	[386]
Methyl ethyl ketone	278.2	-	0.4681	[386]
Methyl ethyl ketone	283.2	-	0.593	[386]
Methyl ethyl ketone	288.2	-	0.7476	[386]
Methyl ethyl ketone	293.2	-	0.9184	[386]
Methyl ethyl ketone	298.2	-	1.181	[386]
Methyl ethyl ketone	303.2	-	1.56	[386]
Methyl ethyl ketone	308.2	-	1.978	[386]
Methyl ethyl ketone	313.2	-	2.57	[386]
Methyl ethyl ketone	318.2	-	3.53	[386]
Methyl ethyl ketone	323.2	-	5.113	[386]

Molecule 3D descriptors

Descriptor	Value
PMI1	1641.5013
PMI2	6540.3225
PMI3	7581.4696
NPR1	0.2165
NPR2	0.8627
RadiusOfGyration	4.4212
InertialShapeFactor	0.0005
Eccentricity	0.9763
Asphericity	0.4859
SpherocityIndex	0.1186
PBF	0.7410