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EC number: 248-363-6 | CAS number: 27247-96-7
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data

Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics in vitro / ex vivo
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Publication the metabolism of a representative member of the chemical aliphatic nitrate esters, which meets generally accepted standards.
Data source
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The cardiovascular drug glyceryl trinitrate (CAS 55-63-0, considered a representative member of the chemical aliphatic nitrate esters), while stable at 37°C in neutral aqueous solution, decomposes in the presence of blood and other tissue preparations to yield inorganic nitrite. The mechanism and kinetics of this reductive breakdown was investigated by measuring nitrite formation from glyceryl trinitrate and glutathione (GSH, CAS 70-18-8) incubated with a protein fraction from hog liver.
- GLP compliance:
- no
Test material
- Radiolabelling:
- no
Results and discussion
Main ADME results
- Type:
- metabolism
- Results:
- Nitroglycerin incubated with reduced glutathione (GSH) was found to undergo a reaction forming nitrite and oxidized glutathione after incubation with hog liver enzymes in vitro. Kinetics: See attached image (figure 2 of the publication).
Toxicokinetic / pharmacokinetic studies
Toxicokinetic parameters
- Toxicokinetic parameters:
- half-life 1st: Half-life of nitroglycerin is <2 h, carefully estimated from figure 2 of the publication (attached).
Metabolite characterisation studies
- Metabolites identified:
- yes
- Details on metabolites:
- Nitroglycerin (CAS 55-63-0) and reduced glutathione (GSH, CAS 70-18-8) were found to undergo a reaction forming Nitrite (CAS 14797-65-0) and oxidized glutathione (CAS 27025-41-8). This reaction took place when crude tissue extracts were present and was catalysed by a specific enzyme, which has been purified from hog liver. It had a pH optimum between 7 and 8 (about physiologic pH). The rate and extent of the reaction could be correlated with the GSH content.
Any other information on results incl. tables
1. Nitroglycerin (CAS 55-63-0) and reduced Glutathione (GSH, CAS 70-18-8) were found to undergo a reaction forming Nitrite (CAS 14797-65-0) and Oxidized glutathione (CAS 27025-41-8). Reduction of Nitroglycerin preceded via hydrolysis because inorganic nitrate did not react with GSH. The rate of nitrite formation was appreciable in neutral aqueous solution but increased rapidly as the pH became more alkaline. GSH could be replaced by cysteine (CAS 52 -90 -4) or cysteinylglycine (CAS 19246-18-5).
2. An enzyme has been purified from hog liver acetone powder which catalyses the reaction between nitroglycerin and GSH. It had a pH optimum between 7 and 8 (about physiologic pH) and was sensitive to traces of cupric salts. The enzyme did not stimulate the reaction between cysteine and nitroglycerin.
3. When crude tissue extracts were incubated with nitroglycerin, nitrite was formed. The rate and extent of the reaction could be correlated with the GSH content of these extracts.
4. When inorganic nitrate was incubated with GSH, no measurable amount of nitrite was formed. Thus the reaction seems specific to organonitrates.
5. The attached figure (figure 2 of the publication) shows the kinetics of the in vitro transformation. It can be concluded that the half-life of nitroglycerin is less than two hours based on the formation of nitrite in the figure.
Applicant's summary and conclusion
- Conclusions:
- It can be concluded that the half-life of nitroglycerin is less than two hours based on the formation of nitrite in curve 1 in the figure. Based on the results in this publication, the nitrite metabolite from nitroglycerin is expected to be similar or identical to the metabolite formed during 2-EHN metabolism to 2-EH and nitrate/nitrite.
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