loading...| Preferred Name |
roflumilast |
|
| Synonyms |
3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide roflumilast roflumilastum Daliresp |
|
| 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:22952743 PMID:22258322 PMID:22385203 Patent:WO2008017827 Patent:US2008221111 PMID:22997924 PMID:22306235 PMID:21778965 Patent:US2008181876 Reaxys:9802592 Drug_Central:3531 PDBeChem:ROF PMID:22833385 KEGG:D05744 PMID:21965226 PMID:22500119 PMID:22791991 PMID:22790061 PMID:21913898 Wikipedia:Roflumilast PMID:22452977 PMID:22723325 PMID:22425388 PMID:22421519 Patent:WO2008090355 PMID:22364166 PMID:22041526 PMID:22284994 PMID:22433610 CAS:162401-32-3 PMID:22955248 PMID:22605906 |
|
| 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_exact_synonym |
3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
roflumilast roflumilastum Daliresp |
|
| 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 |
|
| RO_0000087 | ||
| smiles |
FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_51454 http://purl.obolibrary.org/obo/CHEBI_37143 |