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Molnupiravir

CAT: 0127-OR1027036-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1027036-01Size:1 g
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CAS Number
2492423-29-5
Synonyms
[ (2R,3S,4R,5R) -3,4-dihydroxy-5-[4- (hydroxyamino) -2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-methylpropanoate
Purity
98%
Smiles
CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NO)O)O

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
B8578-200Molnupiravir
TMIH-0354-01Molnupiravir-d7
A22165-50Molnupiravir 50mg
AR-M05021-01Molnupiravir Enantiomer
CS-O-40449Molnupiravir 13C15N2
A22165-500Molnupiravir 500mg
HY-135853R-01Molnupiravir (Standard)
A22165-100Molnupiravir 100mg
A22165-25Molnupiravir 25mg
A22165-5Molnupiravir 5mg

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