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Pleconaril - Bio-X TM

CAT: 0926-BP300112Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BP300112Size:10 mg
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CAS Number
153168-05-9
Synonyms
3-[3,5-Dimethyl-4-[3- (3-methyl-5-isoxazolyl) propoxy]phenyl]-5- (trifluoromethyl) -1,2,4-oxadiazole
MDL Number
MFCD00923611
Smiles
CC1=CC (=CC (=C1OCCCC2=CC (=NO2) C) C) C3=NOC (=N3) C (F) (F) F
Molecular Formula
C18H18F3N3O3
Molecular Weight
381.35 g/mol
Controlled
No

Chemical Information

Pleconaril

Pleconaril is an antiviral drug from viral capsid inhibitor class, manufactured by Schering-Plough and intended for the prevention of acute asthma exacerbations and common cold symptoms in asthmatic patients who have had exposure to picornavirus. It acts by inhibiting viral replication. The use of pleconaril has not gained approval by the U.S. Food and Drug Administration (FDA) due to the fact that it has been found to induce CYP3A enzyme activity, therefore increasing the risk for serious drug interactions.

CAS Number153168-05-9
PubChem CID1684
IUPAC Name3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Molecular FormulaC18H18F3N3O3
Molecular Weight381.3
XLogP4.6
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity471
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
InChIKey
KQOXLKOJHVFTRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pleconaril
CAS: 153168-05-9
CID: 1684
Formula: C18H18F3N3O3
MW: 381.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass381.13002593
Monoisotopic Mass381.13002593
Topological Polar Surface Area74.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T4536-01Pleconaril
BA1634-200Pleconaril (Standard)
A20630-10Pleconaril 10mg

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