Methylpropylpropanediol dinitrate
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Methylpropylpropanediol dinitrate
- Accession Number
- DB13408
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Methylpropylpropanediol dinitrate (DB13408)
- Weight
- Average: 222.197
Monoisotopic: 222.085186179 - Chemical Formula
- C7H14N2O6
- Synonyms
- 2-methyl-2-propylpropane-1,3-diyl dinitrate
Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
- Not Available
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmiodarone Amiodarone may increase the vasodilatory activities of Methylpropylpropanediol dinitrate. Amlodipine Amlodipine may increase the vasodilatory activities of Methylpropylpropanediol dinitrate. Avanafil The risk or severity of hypotension can be increased when Avanafil is combined with Methylpropylpropanediol dinitrate. Bepridil Bepridil may increase the vasodilatory activities of Methylpropylpropanediol dinitrate. Carvedilol Carvedilol may increase the vasodilatory activities of Methylpropylpropanediol dinitrate. Cinnarizine Cinnarizine may increase the vasodilatory activities of Methylpropylpropanediol dinitrate. Clevidipine Clevidipine may increase the vasodilatory activities of Methylpropylpropanediol dinitrate. Cyclandelate Cyclandelate may increase the vasodilatory activities of Methylpropylpropanediol dinitrate. Diltiazem Diltiazem may increase the vasodilatory activities of Methylpropylpropanediol dinitrate. Dipyridamole The risk or severity of hypotension can be increased when Dipyridamole is combined with Methylpropylpropanediol dinitrate. 
Improve patient outcomesBuild effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.Learn more - Food Interactions
- Not Available
Categories
- ATC Codes
- C01DA54 — Methylpropylpropanediol dinitrate, combinations
- C01DA — Organic nitrates
- C01D — VASODILATORS USED IN CARDIAC DISEASES
- C01 — CARDIAC THERAPY
- C — CARDIOVASCULAR SYSTEM
- 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
Chemical Identifiers
- UNII
- C317706XA7
- CAS number
- 10605-24-0
- InChI Key
- BLJBDLGFKNXUCB-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H14N2O6/c1-3-4-7(2,5-14-8(10)11)6-15-9(12)13/h3-6H2,1-2H3
- IUPAC Name
- 2-methyl-1-(nitrooxy)-2-[(nitrooxy)methyl]pentane
- SMILES
- CCCC(C)(CO[N+]([O-])=O)CO[N+]([O-])=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 23742
Clinical Trials
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
Property Value Source Water Solubility 0.153 mg/mL ALOGPS logP 2.3 ALOGPS logP 2.11 ChemAxon logS -3.2 ALOGPS pKa (Strongest Basic) -5.8 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 6 ChemAxon Hydrogen Donor Count 0 ChemAxon Polar Surface Area 104.74 Å2 ChemAxon Rotatable Bond Count 8 ChemAxon Refractivity 48.76 m3·mol-1 ChemAxon Polarizability 20.34 Å3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created on June 23, 2017 20:41 / Updated on June 12, 2020 16:53