Roflumilast-[d4]

Category	Respiratory syncytial Virus (RSV)
CAS	1398065-69-4
Description	One of the isotopic labelled form of Roflumilast, which is a selective, long-acting inhibitor of the enzyme phosphodiesterase-4 (PDE-4).

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Synonyms	3-(Cyclopropyl-d4)methoxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide; B 9302-107-d4; BY 217-d4; BYK 20869-d4; Daxas-d4
IUPAC Name	N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]benzamide
Molecular Weight	407.23
Molecular Formula	C17H10D4Cl2F2N2O3
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)/i1D2,2D2
InChIKey	MNDBXUUTURYVHR-LNLMKGTHSA-N
Melting Point	155-157°C
Purity	>98%
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	Store at-20°C Freezer
Complexity	475
Exact Mass	406.0600610
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.
Target	Phosphodiesterase (PDE); RSV
XLogP3-AA	4.6