Roflumilast

Description: Roflumilast is a selective, long-acting inhibitor of the enzyme PDE-4 as anti-inflammatory effects for the treatment of inflammatory conditions of the lungs such as asthma, and chronic obstructive pulmonary disease (COPD).

• Catalog: OFC162401323
• CAS: 162401-32-3
• Category: Fluorinated APIs
• Synonyms: Daliresp
• Purity: 98%

• IUPAC Name: 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
• 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)
• InChI Key: MNDBXUUTURYVHR-UHFFFAOYSA-N
• Isomeric SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F
• EC Number: 685-382-2

• Molecular Formula: C17H14Cl2F2N2O3
• Molecular Weight: 403.2
• Appearance: White to off-white solid powder

• XLogP3-AA: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 402.0349540 g/mol
• Monoisotopic Mass: 402.0349540 g/mol
• Topological Polar Surface Area: 60.4Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 475