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

Identification

Generic Name
Nitrite
DrugBank Accession Number
DB12529
Background

Nitrite is under investigation for the treatment of Heart Failure.

Type
Small Molecule
Groups
Approved, Investigational
Structure
Weight
Average: 46.0055
Monoisotopic: 45.992903249
Chemical Formula
NO2
Synonyms
  • Nitrite anion
  • Nitrite ion

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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 inorganic compounds known as non-metal nitrites. These are inorganic non-metallic compounds containing a nitrite as its largest oxoanion.
Kingdom
Inorganic compounds
Super Class
Homogeneous non-metal compounds
Class
Non-metal oxoanionic compounds
Sub Class
Non-metal nitrites
Direct Parent
Non-metal nitrites
Alternative Parents
Inorganic nitrites / Inorganic oxides
Substituents
Inorganic nitrite / Inorganic oxide / Non-metal nitrite
Molecular Framework
Not Available
External Descriptors
monovalent inorganic anion, nitrogen oxoanion, reactive nitrogen species (CHEBI:16301) / an anion (NITRITE)
Affected organisms
Not Available

Chemical Identifiers

UNII
J39976L608
CAS number
14797-65-0
InChI Key
IOVCWXUNBOPUCH-UHFFFAOYSA-M
InChI
InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
IUPAC Name
nitrite
SMILES
[O-]N=O

References

General References
Not Available
Human Metabolome Database
HMDB0002786
PubChem Compound
946
PubChem Substance
347828757
ChemSpider
921
BindingDB
26989
RxNav
1546424
ChEBI
16301
PDBe Ligand
NO2
Wikipedia
Nitrite
PDB Entries
1as6 / 1as8 / 1fdi / 1j9q / 1j9r / 1j9s / 1j9t / 1kbv / 1l9o / 1l9p
show 151 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedPreventionMountain Sickness1
2CompletedTreatmentCardiovascular Disease (CVD) / Exercise Intolerance / Heart Failure With Preserved Ejection Fraction (HFpEF) / Pulmonary Hypertension (PH)1
2CompletedTreatmentHeart Failure2
2CompletedTreatmentHeart Failure, Diastolic / Pulmonary Hypertension (PH)1
2CompletedTreatmentSubarachnoid Hemorrhage1
2TerminatedTreatmentPulmonary Arterial Hypertension (PAH)1
1CompletedTreatmentCardiac Arrest1
Not AvailableUnknown StatusNot AvailableHeart Failure1

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
logP0.17ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area52.49 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.6 m3·mol-1ChemAxon
Polarizability2.44 Å3ChemAxon
Number of Rings0ChemAxon
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
MS/MS Spectrum - Quattro_QQQ 10V, NegativeLC-MS/MSsplash10-0007-9000000000-9cf82c70d7bc0883ea95
MS/MS Spectrum - Quattro_QQQ 25V, NegativeLC-MS/MSsplash10-0005-9000000000-e52588fd7e5b6989584d
MS/MS Spectrum - Quattro_QQQ 40V, NegativeLC-MS/MSsplash10-0007-9000000000-891acfcb7562d9875939
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 22:44 / Updated at June 12, 2020 16:53