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CHEBI:180653 - molnupiravir

ChEBI IDCHEBI:180653
ChEBI Namemolnupiravir
Stars
DefinitionA 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.
Last Modified1 October 2021
SubmitterAdnan
DownloadsMolfile
FormulaC13H19N3O7
Net Charge0
Average Mass329.309
Monoisotopic Mass329.12230
SMILESCC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(=NO)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=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
InChIKeyHTNPEHXGEKVIHG-QCNRFFRDSA-N
Wikipedia
Roles Classification
Biological Roles:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
molnupiravir (CHEBI:180653) has functional parent N4-hydroxycytidine (CHEBI:180654)
molnupiravir (CHEBI:180653) has role anticoronaviral agent (CHEBI:149553)
molnupiravir (CHEBI:180653) has role antiviral drug (CHEBI:36044)
molnupiravir (CHEBI:180653) has role prodrug (CHEBI:50266)
molnupiravir (CHEBI:180653) is a isopropyl ester (CHEBI:35725)
molnupiravir (CHEBI:180653) is a ketoxime (CHEBI:24983)
molnupiravir (CHEBI:180653) is a nucleoside analogue (CHEBI:60783)
IUPAC Name 
N-hydroxy-5'-O-(2-methylpropanoyl)-3,4-dihydrocytidine
INNs  Source
molnupiravirumWHO MedNet
molnupiravirWHO MedNet
molnupiravirWHO MedNet
molnupiravirWHO MedNet
Synonyms  Source
EIDD-2801ChemIDplus
MK-4482ChemIDplus
{(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]tetrahydrofuran-2-yl}methyl 2-methylpropanoateIUPAC
N4-hydroxycytidine 5'-isopropylesterChemIDplus
β-D-N4-hydroxycytidine-5'-isopropyl esterChemIDplus
EIDD 1931 5'-isopropylesterChEBI
Manual XrefsDatabases
MolnupiravirWikipedia
D11943KEGG DRUG
84400552ChemSpider
Registry NumbersSources
CAS:2349386-89-4ChemIDplus
CAS:2492423-29-5ChemIDplus
Citations