NAV

Trolnitrate

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

Identification

Generic Name
Trolnitrate
DrugBank Accession Number
DB13719
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 284.181
Monoisotopic: 284.060427982
Chemical Formula
C6H12N4O9
Synonyms
  • Trolnitrate
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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 Trolnitrate.
AmlodipineAmlodipine may increase the vasodilatory activities of Trolnitrate.
AvanafilAvanafil may increase the hypotensive activities of Trolnitrate.
BepridilBepridil may increase the vasodilatory activities of Trolnitrate.
CarvedilolCarvedilol may increase the vasodilatory activities of Trolnitrate.
Food Interactions
Not Available

Categories

ATC Codes
C01DA09 — TrolnitrateC01DA59 — Trolnitrate, combinations
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alkyl nitrates. These are organic compounds containing a nitrate that is O-linked to an alkyl group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organic oxoanionic compounds
Sub Class
Organic nitrates
Direct Parent
Alkyl nitrates
Alternative Parents
Trialkylamines / Organic nitro compounds / Organic nitric acids and derivatives / Organopnictogen compounds / Organooxygen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Aliphatic acyclic compound / Alkyl nitrate / Allyl-type 1,3-dipolar organic compound / Amine / Hydrocarbon derivative / Organic 1,3-dipolar compound / Organic nitric acid or derivatives / Organic nitro compound / Organic nitrogen compound / Organic oxide
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
B9M85U075P
CAS number
7077-34-1
InChI Key
HWKQNAWCHQMZHK-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N4O9/c11-8(12)17-4-1-7(2-5-18-9(13)14)3-6-19-10(15)16/h1-6H2
IUPAC Name
2-{bis[2-(nitrooxy)ethyl]amino}ethyl nitrate
SMILES
O=N(=O)OCCN(CCON(=O)=O)CCON(=O)=O

References

General References
Not Available
ChemSpider
11015
ChEBI
135172
ChEMBL
CHEMBL2111164
ZINC
ZINC000032709512
Wikipedia
Trolnitrate

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 Solubility1.18 mg/mLALOGPS
logP1.11ALOGPS
logP0.89Chemaxon
logS-2.4ALOGPS
pKa (Strongest Basic)7.3Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area168.39 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity58.95 m3·mol-1Chemaxon
Polarizability23.34 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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]-164.3085621
predicted
DarkChem Lite v0.1.0
[M-H]-149.0542
predicted
DeepCCS 1.0 (2019)
[M+H]+165.8960621
predicted
DarkChem Lite v0.1.0
[M+H]+151.41219
predicted
DeepCCS 1.0 (2019)
[M+Na]+157.95573
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54