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VV116

CAT: 0931-T60016-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60016-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2647442-33-7
Target
SARS-CoV, RSV
Related Pathways
Microbiology/Virology
Purity
0.9942
Bioactivity
VV116 is a selective and orally active nucleoside antiviral agent against respiratory syncytial virus and SARS-CoV-2 infection.[1]
Smiles
C(#N)[C@@]1([C@H](OC(C(C)C)=O)[C@H](OC(C(C)C)=O)[C@@H](COC(C(C)C)=O)O1)C=2N3C(=C(C2)[2H])C(N)=NC=N3
Molecular Formula
C24H30DN5O7
Molecular Weight
502.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

VV116

Deuremidevir is a small molecule drug. Deuremidevir is under investigation in clinical trial NCT06328400 (A Study to Evaluate the Safety, Tolerability, and Pharmacokinetics of Oral Deuremidevir Hydrobromide for Suspension).

CAS Number2647442-33-7
PubChem CID163358784
IUPAC Name[(2R,3R,4R,5R)-5-(4-amino-5-deuteriopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Molecular FormulaC24H31N5O7
Molecular Weight502.5
XLogP2.3
Topological Polar Surface Area168
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity887
SMILES
[2H]C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)COC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)C#N)N
InChI
InChI=1S/C24H31N5O7/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28)/t16-,18-,19-,24+/m1/s1/i7D
InChIKey
RVSSLHFYCSUAHY-QXMJNOOVSA-N
Chemical Structure
2D Structure
2D structure of VV116
CAS: 2647442-33-7
CID: 163358784
Formula: C24H31N5O7
MW: 502.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass502.22862509
Monoisotopic Mass502.22862509
Topological Polar Surface Area168 Ų
Heavy Atom Count36
Formal Charge0
Complexity887
Isotope Atom Count1
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M35304-01VV116

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