Molnupiravir
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-methylpropanoate
Molecular Identity
Molnupiravir
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-methylpropanoate
PubChem CID: 145996610
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.
2D Structure
Properties
C13H19N3O7
Molecular Formula
329.31
Molecular Weight
g/mol
329.1223
Exact Mass
Da
-0.8
XLogP
Drug-like (Lipinski: < 5)
141
TPSA
May have limited oral absorption
4
H-Bond Donors
7
H-Bond Acceptors
534
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)NO)O)OIsomeric SMILES
SMILES: CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NO)O)OSynonyms(20)
molnupiravirEIDD-28012492423-29-5LagevrioMK-4482EIDD 2801Uridine, 4-oxime, 5'-(2-methylpropanoate)YA84KI1VEWEidd 1931-isopropyl esterEIDD2801DTXSID501028058beta-D-N4 Hydroxycytidine-5'-isopropyl esterEIDD-1931 ISOPROPYL ESTERN4-Hydroxycytidine, 5'-isopropyl ester((2R,3S,4R,5R)-3,4-dihydroxy-5-((E)-4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl isobutyrate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Molnupiravir
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