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Pleconaril-[d8]

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General Information
Catalog: BLP-003851
CAS: 1346602-36-5
Molecular Formula: C18H10D8F3N3O3
Molecular Weight: 389.40

Chemical Structure

Description	Pleconaril-[d8], is the labelled analogue of Pleconaril. Pleconaril is an antiviral drug that prevents exacerbation of asthma and common cold symptoms in patients exposed to picornavirus respiratory infections.
Synonyms	3-{3,5-Bis[(2H3)methyl]-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy](2H2)phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole; Pleconaril D8
IUPAC Name	3-[2,6-dideuterio-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]-3,5-bis(trideuteriomethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Related CAS	153168-05-9 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])OCCCC2=CC(=NO2)C)C([2H])([2H])[2H])[2H])C3=NOC(=N3)C(F)(F)F
Canonical SMILES	CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=NOC(=N3)C(F)(F)F
InChI	InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3/i1D3,2D3,7D,8D
InChI Key	KQOXLKOJHVFTRN-SKJDFIQESA-N
Boiling Point	481.2±55.0°C at 760 mmHg
Melting Point	59-61°C
Purity	98% by CP; 95% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in Chloroform, DMSO, Ethyl Acetate, Methanol
Appearance	White to Off-white Solid
Storage	Store at-20°C