This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Methylpropylpropanediol dinitrate
- DrugBank Accession Number
- DB13408
- Background
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
- Indication
Not Available
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Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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.
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. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.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
- Affected organisms
- 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 at June 23, 2017 20:41 / Updated at June 12, 2020 16:53