NAV

Nitrate

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

Identification

Generic Name
Nitrate
DrugBank Accession Number
DB14049
Background

Not Available

Type
Small Molecule
Groups
Experimental, Investigational
Structure
3D
Similar Structures
Weight
Average: 62.0049
Monoisotopic: 61.987817871
Chemical Formula
NO3
Synonyms
  • Nitrate ion
  • Nitrates
External IDs
  • N511
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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.
DrugInteraction
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interactions in your software
AmiodaroneAmiodarone may increase the vasodilatory activities of Nitrate.
AmlodipineAmlodipine may increase the vasodilatory activities of Nitrate.
AvanafilAvanafil may increase the hypotensive activities of Nitrate.
BepridilBepridil may increase the vasodilatory activities of Nitrate.
CarvedilolCarvedilol may increase the vasodilatory activities of Nitrate.
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 nitrates. These are inorganic non-metallic compounds containing a nitrate as its largest oxoanion.
Kingdom
Inorganic compounds
Super Class
Homogeneous non-metal compounds
Class
Non-metal oxoanionic compounds
Sub Class
Non-metal nitrates
Direct Parent
Non-metal nitrates
Alternative Parents
Inorganic oxides
Substituents
Inorganic oxide / Non-metal nitrate
Molecular Framework
Not Available
External Descriptors
monovalent inorganic anion, nitrogen oxoanion, reactive nitrogen species (CHEBI:17632) / an anion (NITRATE)
Affected organisms
Not Available

Chemical Identifiers

UNII
T93E9Y2844
CAS number
14797-55-8
InChI Key
NHNBFGGVMKEFGY-UHFFFAOYSA-N
InChI
InChI=1S/NO3/c2-1(3)4/q-1
IUPAC Name
nitrate
SMILES
[O-]N(=O)=O

References

General References
Not Available
Human Metabolome Database
HMDB0002878
ChemSpider
918
BindingDB
26988
RxNav
1546271
ChEBI
17632
ChEMBL
CHEMBL186200
PDBe Ligand
NO3
Wikipedia
Nitrate
PDB Entries
1a4c / 1azr / 1bg0 / 1can / 1ch8 / 1cib / 1dkk / 1e5y / 1e5z / 1e67 …
show 892 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentMyocardial Ischemia / Quality of Life (QOL) / Stable Angina (SA)1
4RecruitingPreventionLength of Hospital Stay1
4RecruitingTreatmentMyocardial Infarction With Non-obstructive Coronary Arteries1
4Unknown StatusTreatmentCoronary Artery Disease (CAD)1
3CompletedPreventionOsteoporosis1

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP0.84Chemaxon
pKa (Strongest Basic)-9.9Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area66.2 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity8.35 m3·mol-1Chemaxon
Polarizability3.28 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/MSsplash10-03di-9000000000-62b6946f773f2794ce2b
MS/MS Spectrum - Quattro_QQQ 25V, NegativeLC-MS/MSsplash10-03dj-9000000000-b705d64f017cd9970bcb
MS/MS Spectrum - Quattro_QQQ 40V, NegativeLC-MS/MSsplash10-03di-9000000000-a03d650125e7c3c9631a
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-106.43794
predicted
DeepCCS 1.0 (2019)
[M-H]-106.43794
predicted
DeepCCS 1.0 (2019)
[M+H]+93.6225389
predicted
DarkChem Lite v0.1.0
[M+H]+108.31851
predicted
DeepCCS 1.0 (2019)
[M+H]+93.6225389
predicted
DarkChem Lite v0.1.0
[M+H]+108.31851
predicted
DeepCCS 1.0 (2019)
[M+Na]+94.0981389
predicted
DarkChem Lite v0.1.0
[M+Na]+116.67768
predicted
DeepCCS 1.0 (2019)
[M+Na]+94.0981389
predicted
DarkChem Lite v0.1.0
[M+Na]+116.67768
predicted
DeepCCS 1.0 (2019)

Drug created at June 06, 2018 15:27 / Updated at June 12, 2020 16:53