Preferred Name |
roflumilast |
|
Synonyms |
3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide roflumilast Daliresp roflumilastum |
|
Definitions |
A 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. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_47657 |
|
charge |
0 |
|
database_cross_reference |
PMID:22421519 Patent:US2008221111 KEGG:D05744 PDBeChem:ROF PMID:21965226 PMID:22041526 CAS:162401-32-3 PMID:22385203 PMID:21913898 PMID:22500119 PMID:22790061 PMID:22791991 PMID:22452977 PMID:22306235 PMID:22605906 PMID:22364166 Patent:US2008181876 PMID:22433610 PMID:21778965 PMID:22955248 PMID:22258322 Wikipedia:Roflumilast Reaxys:9802592 PMID:22997924 PMID:22284994 Drug_Central:3531 PMID:22952743 PMID:22723325 PMID:22425388 PMID:22833385 Patent:WO2008090355 Patent:WO2008017827 |
|
definition |
A 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. |
|
formula |
C17H14Cl2F2N2O3 |
|
has role | ||
has_exact_synonym |
3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
roflumilast Daliresp roflumilastum |
|
id |
CHEBI:47657 |
|
in_subset | ||
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 |
|
label |
roflumilast |
|
mass |
403.20700 |
|
monoisotopicmass |
402.03495 |
|
notation |
CHEBI:47657 |
|
prefLabel |
roflumilast |
|
smiles |
FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_51454 http://purl.obolibrary.org/obo/CHEBI_37143 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_51454 http://purl.obolibrary.org/obo/CHEBI_37143 |