NAV

Tenitramine

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

Identification

Generic Name
Tenitramine
DrugBank Accession Number
DB13637
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 416.3
Monoisotopic: 416.113920108
Chemical Formula
C10H20N6O12
Synonyms
Not Available
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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 Tenitramine.
AmlodipineAmlodipine may increase the vasodilatory activities of Tenitramine.
AvanafilAvanafil may increase the hypotensive activities of Tenitramine.
BepridilBepridil may increase the vasodilatory activities of Tenitramine.
CarvedilolCarvedilol may increase the vasodilatory activities of Tenitramine.
Food Interactions
Not Available

Products

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Categories

ATC Codes
C01DA38 — Tenitramine
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
nitrates (CHEBI:81292)
Affected organisms
Not Available

Chemical Identifiers

UNII
CKB16BAQ3S
CAS number
21946-79-2
InChI Key
DLDKCSIJFIPYRK-UHFFFAOYSA-N
InChI
InChI=1S/C10H20N6O12/c17-13(18)25-7-3-11(4-8-26-14(19)20)1-2-12(5-9-27-15(21)22)6-10-28-16(23)24/h1-10H2
IUPAC Name
2-[(2-{bis[2-(nitrooxy)ethyl]amino}ethyl)[2-(nitrooxy)ethyl]amino]ethyl nitrate
SMILES
[O-][N+](=O)OCCN(CCO[N+]([O-])=O)CCN(CCO[N+]([O-])=O)CCO[N+]([O-])=O

References

General References
Not Available
KEGG Compound
C17719
ChemSpider
146969
ChEBI
81292
ChEMBL
CHEMBL3707257
Wikipedia
Tenitramine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.444 mg/mLALOGPS
logP1.04ALOGPS
logP0.24Chemaxon
logS-3ALOGPS
pKa (Strongest Basic)7.6Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count14Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area215.96 Å2Chemaxon
Rotatable Bond Count19Chemaxon
Refractivity85.94 m3·mol-1Chemaxon
Polarizability36.46 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0kbf-5698000000-78b296211a0df2b53d72
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]-212.3957558
predicted
DarkChem Lite v0.1.0
[M-H]-164.31866
predicted
DeepCCS 1.0 (2019)
[M+H]+211.8075558
predicted
DarkChem Lite v0.1.0
[M+H]+168.30246
predicted
DeepCCS 1.0 (2019)
[M+Na]+212.0175558
predicted
DarkChem Lite v0.1.0
[M+Na]+177.08012
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:45 / Updated at June 12, 2020 16:53