Nitrite

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

Identification

Name
Nitrite
Accession Number
DB12529
Type
Small Molecule
Groups
Approved, Investigational
Description

Nitrite is under investigation for the treatment of Heart Failure.

Structure
Thumb
Synonyms
  • Nitrite anion
  • Nitrite ion
Categories
Not Available
UNII
J39976L608
CAS number
14797-65-0
Weight
Average: 46.0055
Monoisotopic: 45.992903249
Chemical Formula
NO2
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0002786
PubChem Compound
946
PubChem Substance
347828757
ChemSpider
921
BindingDB
26989
ChEBI
16301
HET
NO2
Wikipedia
Nitrite
PDB Entries
1as6 / 1as8 / 1fdi / 1j9q / 1j9r / 1j9s / 1j9t / 1kbv / 1l9o / 1l9p
show 114 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentCardiac Arrest1
2CompletedTreatmentExercise Intolerance / Heart Diseases / Heart Failure With Preserved Ejection Fraction (HFpEF) / Pulmonary Hypertension (PH)1
2RecruitingTreatmentHeart Failure, Unspecified2
2TerminatedTreatmentPulmonary Arterial Hypertension (PAH)1
4Active Not RecruitingPreventionMountain Sickness1
Not AvailableNot Yet RecruitingNot AvailableHeart Failure, Unspecified1

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 Acidic)3.32ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
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

Taxonomy

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
Non-metal nitrite / Inorganic nitrite / Inorganic oxide
Molecular Framework
Not Available
External Descriptors
monovalent inorganic anion, nitrogen oxoanion, reactive nitrogen species (CHEBI:16301) / an anion (NITRITE)

Drug created on October 20, 2016 16:44 / Updated on November 02, 2018 07:26