Ribavirin monophosphate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Ribavirin monophosphate
DrugBank Accession Number
DB14663
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 324.1846
Monoisotopic: 324.047099924
Chemical Formula
C8H13N4O8P
Synonyms
  • Ribavirin 5'-monophosphate
  • Virazole 5'-phosphate
External IDs
  • NSC-274937

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as triazole ribonucleosides and ribonucleotides. These are nucleoside derivatives containing a ribose (or deoxyribose) moiety which is N-glycosylated to a triazole. Nucleotides have a phosphate group linked to the C5 carbon of the ribose (or deoxyribose) moiety.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Triazole ribonucleosides and ribonucleotides
Sub Class
Not Available
Direct Parent
Triazole ribonucleosides and ribonucleotides
Alternative Parents
Pentose phosphates / Glycosylamines / Monosaccharide phosphates / 2-heteroaryl carboxamides / Monoalkyl phosphates / Triazoles / Tetrahydrofurans / Heteroaromatic compounds / Primary carboxylic acid amides / Secondary alcohols
show 7 more
Substituents
1,2,4-triazole / 1,2-diol / 2-heteroaryl carboxamide / Alcohol / Alkyl phosphate / Aromatic heteromonocyclic compound / Azacycle / Azole / Carboxamide group / Carboxylic acid derivative
show 25 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
O9FVV27P11
CAS number
40925-28-8
InChI Key
SDWIOXKHTFOULX-AFCXAGJDSA-N
InChI
InChI=1S/C8H13N4O8P/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(20-8)1-19-21(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H2,16,17,18)/t3-,4-,5-,8-/m1/s1
IUPAC Name
{[(2R,3S,4R,5R)-5-(3-carbamoyl-1H-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
SMILES
NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

References

General References
Not Available
ChemSpider
90600
ChEMBL
CHEMBL1235764
ZINC
ZINC000012402859
PDBe Ligand
RVP
PDB Entries
1me7 / 1me8 / 1nf7 / 1r6a / 7dfh

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.34 mg/mLALOGPS
logP-2.7ALOGPS
logP-2.9Chemaxon
logS-2ALOGPS
pKa (Strongest Acidic)1.23Chemaxon
pKa (Strongest Basic)-1.2Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area190.25 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity75.45 m3·mol-1Chemaxon
Polarizability26.39 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0390000000-b7c01336c75b3f4c7050
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00b9-9006000000-9e6c89f2dc05e9ffd7b4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9410000000-6c7212a2557162327e38
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-8220f03ae154dcea9bbe
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-6920000000-170385fe03dbc7f20e2c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9400000000-8dc611482aed6a015b7b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-184.2410784
predicted
DarkChem Lite v0.1.0
[M-H]-156.62965
predicted
DeepCCS 1.0 (2019)
[M+H]+179.5083784
predicted
DarkChem Lite v0.1.0
[M+H]+159.0252
predicted
DeepCCS 1.0 (2019)
[M+Na]+179.5157784
predicted
DarkChem Lite v0.1.0
[M+Na]+164.93773
predicted
DeepCCS 1.0 (2019)

Drug created at September 03, 2018 14:37 / Updated at June 12, 2020 16:53