Products for Research Use Only

VR17-04

CAT: 0013-GTR19241617-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241617-01Size:50 mg
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Description
VR17-04, the active metabolite of Enisamium, acts as a nucleoside analog inhibitor of viral RNA synthesis by blocking GTP and UTP incorporation, as demonstrated by computational studies. This mechanism supports its investigation as a potential broad-spectrum antiviral agent in both in vitro and animal model studies for COVID-19 and other RNA virus infections.
CAS Number
2417925-64-3
Smiles
O=C (NCC=1C=CC=CC1) C2=CC=[N+] (C=C2O) C
Molecular Formula
C14H15N2O2
Molecular Weight
243.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

47LH5FC8FW
CAS Number2417925-64-3
PubChem CID167713304
IUPAC NameN-benzyl-3-hydroxy-1-methylpyridin-1-ium-4-carboxamide
Molecular FormulaC14H15N2O2+
Molecular Weight243.28
XLogP2
Topological Polar Surface Area53.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge1
Complexity277
SMILES
C[N+]1=CC(=C(C=C1)C(=O)NCC2=CC=CC=C2)O
InChI
InChI=1S/C14H14N2O2/c1-16-8-7-12(13(17)10-16)14(18)15-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H-,15,17,18)/p+1
InChIKey
PSTFMUUIKOEIMY-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of 47LH5FC8FW
CAS: 2417925-64-3
CID: 167713304
Formula: C14H15N2O2+
MW: 243.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight243.28
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass243.113352725
Monoisotopic Mass243.113352725
Topological Polar Surface Area53.2 Ų
Heavy Atom Count18
Formal Charge1
Complexity277
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