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CHEBI:47657 - roflumilast

ChEBI IDCHEBI:47657
ChEBI Nameroflumilast
Stars
DefinitionA benzamide obtained by formal condensation of the carboxy group of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid with the amino group of 3,5-dichloropyridin-4-amine. Used for treatment of bronchial asthma and chronic obstructive pulmonary disease.
Last Modified22 February 2017
DownloadsMolfile
FormulaC17H14Cl2F2N2O3
Net Charge0
Average Mass403.212
Monoisotopic Mass402.03495
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=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)
InChIKeyMNDBXUUTURYVHR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
phosphodiesterase IV inhibitor  An EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor that specifically blocks the action of phosphodiesterase IV.
Application:
anti-asthmatic drug  A drug used to treat asthma.
ChEBI Ontology
Outgoing Relation(s)
roflumilast (CHEBI:47657) has role anti-asthmatic drug (CHEBI:49167)
roflumilast (CHEBI:47657) has role phosphodiesterase IV inhibitor (CHEBI:68844)
roflumilast (CHEBI:47657) is a aromatic ether (CHEBI:35618)
roflumilast (CHEBI:47657) is a benzamides (CHEBI:22702)
roflumilast (CHEBI:47657) is a chloropyridine (CHEBI:39173)
roflumilast (CHEBI:47657) is a cyclopropanes (CHEBI:51454)
roflumilast (CHEBI:47657) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
INNs  Source
roflumilastKEGG DRUG
roflumilastWHO MedNet
roflumilastWHO MedNet
roflumilastumWHO MedNet
Brand Name  Source
DalirespKEGG DRUG
Manual XrefsDatabases
ROFPDBeChem
RoflumilastWikipedia
D05744KEGG DRUG
US2008221111Patent
WO2008017827Patent
US2008181876Patent
WO2008090355Patent
3531DrugCentral
Registry NumbersSources
Reaxys:9802592Reaxys
CAS:162401-32-3KEGG DRUG
CAS:162401-32-3ChemIDplus
Citations