NAV

Propatyl nitrate

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

Identification

Generic Name
Propatyl nitrate
DrugBank Accession Number
DB13255
Background

Not Available

Type
Small Molecule
Groups
Experimental, Investigational
Structure
3D
Similar Structures
Weight
Average: 269.166
Monoisotopic: 269.049528946
Chemical Formula
C6H11N3O9
Synonyms
  • Propatyl nitrate
  • Propatylnitrate
External IDs
  • WIN 9317
  • WIN-9317
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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
Integrate drug-drug
interactions in your software
AmiodaroneAmiodarone may increase the vasodilatory activities of Propatyl nitrate.
AmlodipineAmlodipine may increase the vasodilatory activities of Propatyl nitrate.
AvanafilAvanafil may increase the hypotensive activities of Propatyl nitrate.
BepridilBepridil may increase the vasodilatory activities of Propatyl nitrate.
CarvedilolCarvedilol may increase the vasodilatory activities of Propatyl nitrate.
Food Interactions
Not Available

Categories

ATC Codes
C01DA57 — Propatylnitrate, combinationsC01DA07 — Propatylnitrate
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
Organic nitro compounds / Organic nitric acids and derivatives / Organooxygen compounds / Organic oxides / Organic nitrogen compounds / Hydrocarbon derivatives
Substituents
Aliphatic acyclic compound / Alkyl nitrate / Allyl-type 1,3-dipolar organic compound / Hydrocarbon derivative / Organic 1,3-dipolar compound / Organic nitric acid or derivatives / Organic nitro compound / Organic nitrogen compound / Organic oxide / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
AJT2YN495R
CAS number
2921-92-8
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

References

General References
Not Available
ChemSpider
59642
ChEBI
135104
ChEMBL
CHEMBL488280
ZINC
ZINC000008214664
Wikipedia
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-MSsplash10-07do-8590000000-d7e6859782edf10a3d54
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]-165.3321626
predicted
DarkChem Lite v0.1.0
[M-H]-143.02625
predicted
DeepCCS 1.0 (2019)
[M+H]+164.8213626
predicted
DarkChem Lite v0.1.0
[M+H]+145.42545
predicted
DeepCCS 1.0 (2019)
[M+Na]+165.8519626
predicted
DarkChem Lite v0.1.0
[M+Na]+152.69405
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54