Roflumilast
Properties
- Molecular formula
- C17H14Cl2F2N2O3
- Molar mass
- 403.21 g/mol
- Exact mass
- 402.0350 Da
- Melting point
- 157–157.5 °C
- logP
- 4.45Crippen estimate
- Polar surface area
- 63.7 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 6
Hazards
Warning
- H315 Causes skin irritation91.1% of notifiers
- H319 Causes serious eye irritation91.1% of notifiers
- H335 May cause respiratory irritation88.9% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
162401-32-3SMILES
O=C(N=c1c(Cl)c[nH]cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1InChIKey
MNDBXUUTURYVHR-UHFFFAOYSA-NInChI
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)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-
- 3-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
- BYK 20869
- BY 217
- B 9302-107
- Daxas
- Daliresp
- ARQ 151
- Libertek
Work with Roflumilast
Similar compounds
Roflumilast N-oxide292135-78-576 % similar
3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid162401-62-957 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.