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Roflumilast-[d3]

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Category Respiratory syncytial Virus (RSV)
CAS 1189992-00-4
Description A deuterated Roflumilast. Roflumilast is a selective, long-acting inhibitor of the enzyme phosphodiesterase-4 (PDE-4).
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Product Information

Synonyms Daxas-d3; 3-(Cyclopropyl-d4)methoxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
IUPAC Name N-(3,5-dichloropyridin-4-yl)-3-[dideuterio-(1-deuteriocyclopropyl)methoxy]-4-(difluoromethoxy)benzamide
Molecular Weight 406.23
Molecular Formula C17H11D3Cl2F2N2O3
Canonical SMILES C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F
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)/i8D2,9D
InChIKey MNDBXUUTURYVHR-YBGYDHGYSA-N
Melting Point 158°C (lit.)
Purity > 95%
Solubility DMF: 30 mg/ml, DMSO: 20 mg/ml, Ethanol: 10 mg/ml
Appearance Solid powder
Storage Store at -20°C
Complexity 475
Exact Mass 405.0537843
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
PSA 63.68000
Target Phosphodiesterase (PDE); RSV
XLogP3-AA 4.6

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