Molnupiravir

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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 Number	2492423-29-5
PubChem CID	145996610
IUPAC Name	[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-methylpropanoate
Molecular Formula	C13H19N3O7
Molecular Weight	329.31
XLogP	-0.8
Topological Polar Surface Area	141
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	534

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

CAS: 2492423-29-5

CID: 145996610

Formula: C13H19N3O7

MW: 329.31

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	329.31
XLogP3	-0.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	329.12229995
Monoisotopic Mass	329.12229995
Topological Polar Surface Area	141 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	534
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

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

Molnupiravir

Chemical Information

Alternative Products

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