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Vapendavir

CAT: 1596-AR-V01168-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V01168-02Size:25 Units
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CAS Number
439085-51-5
Synonyms
3-ethoxy-6- (2- (1- (6-methylpyridazin-3-yl) piperidin-4-yl) ethoxy) benzo[d]isoxazole; BTA 798; 3-Ethoxy-6-[2-[1- (6-methyl-3-pyridazinyl) -4-piperidinyl]ethoxy]-1,2-benzisoxazole
Molecular Formula
C21H26N4O3
Molecular Weight
382.47
API Name
Vapendavir

Chemical Information

Vapendavir

BTA798 is an antiviral for the treatment of HRV, the common cold virus, known to cause significant clinical complications in sufferers of Asthma and Chronic Obstructive Pulmonary Disease.

CAS Number439085-51-5
PubChem CID504457
IUPAC Name3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole
Molecular FormulaC21H26N4O3
Molecular Weight382.5
XLogP3.9
Topological Polar Surface Area73.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity475
SMILES
CCOC1=NOC2=C1C=CC(=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)C
InChI
InChI=1S/C21H26N4O3/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20/h4-7,14,16H,3,8-13H2,1-2H3
InChIKey
DKSVBVKHUICELN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vapendavir
CAS: 439085-51-5
CID: 504457
Formula: C21H26N4O3
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass382.20049070
Monoisotopic Mass382.20049070
Topological Polar Surface Area73.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity475
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

Alternative Products

CatalogName
T13284L-01Vapendavir
M33162-01Vapendavir diphosphate
CS-B-00408Vapendavir-d6
HY-106254A-01Vapendavir (diphosphate)
A12960-10Vapendavir 10mg
TRC-V097702-25MGVapendavir-d5
A12960-25Vapendavir 25mg
A12960-5Vapendavir 5mg
A12960-1Vapendavir 1mg

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