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Molnupiravir (Standard)

CAT: 0804-HY-135853R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135853R-01Size:5 mg
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Description
Molnupiravir (Standard) is the analytical standard of Molnupiravir. This product is intended for research and analytical applications. Molnupiravir (EIDD-2801) is an orally bioavailable proagent of the ribonucleoside analog EIDD-1931. Molnupiravir has broad spectrum antiviral activity against influenza virus and multiple coronaviruses, such as SARS-CoV-2, MERS-CoV, SARS-CoV. Molnupiravir has the potential for the research of COVID-19, and seasonal and pandemic influenza[1][2].
CAS Number
2492423-29-5
Product Name Alternative
EIDD-2801 (Standard) ; MK-4482 (Standard)
UNSPSC
12352005
Target
Influenza Virus; Reference Standards; SARS-CoV
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/molnupiravir-standard.html
Smiles
O=C(N([C@@]1([H])[C@H](O)[C@H](O)[C@@]([H])(COC(C(C)C)=O)O1)C=C2)NC2=NO
Molecular Formula
C13H19N3O7
Molecular Weight
329.31
References & Citations
[1]Toots M, et al. Characterization of orally efficacious influenza drug with high resistance barrier in ferrets and human airway epithelia. Sci Transl Med. 2019 Oct 23;11 (515) . pii: eaax5866.|[2]Sheahan TP, et al. An orally bioavailable broad-spectrum antiviral inhibits SARS-CoV-2 in human airway epithelial cell cultures and multiple coronaviruses in mice. Sci Transl Med. 2020 Apr 6. pii: eabb5883.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Molnupiravir

Molnupiravir is a nucleoside analogue that is N4-hydroxycytidine in which the 5'-hydroxy group is replaced by a (2-methylpropanoyl)oxy group. It is the prodrug of the active antiviral ribonucleoside analog N4-hydroxycytidine (EIDD-1931), has activity against a number of RNA viruses including SARS-CoV-2, MERS-CoV, and seasonal and pandemic influenza viruses. It is currently in phase III trials for the treatment of patients with COVID-19. It has a role as an anticoronaviral agent, an antiviral drug and a prodrug. It is a ketoxime, an isopropyl ester and a nucleoside analogue. It is functionally related to a N(4)-hydroxycytidine.

CAS Number2492423-29-5
PubChem CID145996610
IUPAC Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-methylpropanoate
Molecular FormulaC13H19N3O7
Molecular Weight329.31
XLogP-0.8
Topological Polar Surface Area141
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity534
SMILES
CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NO)O)O
InChI
InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1
InChIKey
HTNPEHXGEKVIHG-QCNRFFRDSA-N
Chemical Structure
2D Structure
2D structure of Molnupiravir
CAS: 2492423-29-5
CID: 145996610
Formula: C13H19N3O7
MW: 329.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight329.31
XLogP3-0.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass329.12229995
Monoisotopic Mass329.12229995
Topological Polar Surface Area141 Ų
Heavy Atom Count23
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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