Roflumilast
3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
Molecular Identity
Roflumilast
3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
PubChem CID: 449193
Roflumilast is 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. It has a role as an anti-asthmatic drug and a phosphodiesterase IV inhibitor. It is a member of benzamides, an aromatic ether, an organofluorine compound, a chloropyridine and a member of cyclopropanes.
2D Structure
Properties
C17H14Cl2F2N2O3
Molecular Formula
403.20
Molecular Weight
g/mol
402.0350
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
60.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
475
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)FIsomeric SMILES
SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)FSynonyms(20)
Roflumilast162401-32-3DAXAS3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDEDalirespBY217BYK20869ZORYVEBenzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-BY-2170P6C6ZOP5UBYK-20869roflumilastumB9302-107ARQ-154 (Roflumilast foam)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Roflumilast
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