Propatyl nitrate

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

Identification

Name
Propatyl nitrate
Accession Number
DB13255
Type
Small Molecule
Groups
Experimental, Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • Propatyl nitrate
  • Propatylnitrate
External IDs
WIN 9317 / WIN-9317
Categories
UNII
AJT2YN495R
CAS number
2921-92-8
Weight
Average: 269.166
Monoisotopic: 269.049528946
Chemical Formula
C6H11N3O9
InChI Key
YZZCJYJBCUJISI-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N3O9/c1-2-6(3-16-7(10)11,4-17-8(12)13)5-18-9(14)15/h2-5H2,1H3
IUPAC Name
1-(nitrooxy)-2,2-bis[(nitrooxy)methyl]butane
SMILES
CCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=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
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
AgmatineAgmatine may increase the vasodilatory activities of Propatyl nitrate.
AmiodaroneAmiodarone may increase the vasodilatory activities of Propatyl nitrate.
AmlodipineAmlodipine may increase the vasodilatory activities of Propatyl nitrate.
AranidipineAranidipine may increase the vasodilatory activities of Propatyl nitrate.
AvanafilThe risk or severity of hypotension can be increased when Avanafil is combined with Propatyl nitrate.
AzelnidipineAzelnidipine may increase the vasodilatory activities of Propatyl nitrate.
BarnidipineBarnidipine may increase the vasodilatory activities of Propatyl nitrate.
BencyclaneBencyclane may increase the vasodilatory activities of Propatyl nitrate.
BenidipineBenidipine may increase the vasodilatory activities of Propatyl nitrate.
BepridilBepridil may increase the vasodilatory activities of Propatyl nitrate.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
59642
ChEBI
135104
ChEMBL
CHEMBL488280
ZINC
ZINC000008214664
Wikipedia
Propatylnitrate
ATC Codes
C01DA57 — Propatylnitrate, combinationsC01DA07 — Propatylnitrate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentChronic Stable Angina Pectoris1

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 Solubility0.257 mg/mLALOGPS
logP1.64ALOGPS
logP1.08ChemAxon
logS-3ALOGPS
pKa (Strongest Basic)-5.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area157.11 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity51.62 m3·mol-1ChemAxon
Polarizability21.34 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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 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
Organic nitro compounds / Organic nitric acids and derivatives / Organooxygen compounds / Organic oxides / Organic nitrogen compounds / Hydrocarbon derivatives
Substituents
Alkyl nitrate / Organic nitro compound / Organic nitric acid or derivatives / Organic 1,3-dipolar compound / Allyl-type 1,3-dipolar organic compound / Organic nitrogen compound / Organic oxide / Hydrocarbon derivative / Organooxygen compound / Aliphatic acyclic compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:38 / Updated on June 12, 2020 10:53

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