Registration Dossier
Registration Dossier
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EC number: 229-713-7 | CAS number: 6674-22-2
Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR prediction of toxicokinetic properties, based on chemical structure and physicochemical properties
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR Toolbox output
- Title:
- No information
- Author:
- OECD QSAR Toolbox version 3.1
- Year:
- 2 013
Materials and methods
- Objective of study:
- toxicokinetics
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- QSAR prediction of toxicokinetic properties, based on chemical structure and physicochemical properties
- GLP compliance:
- no
Test material
- Reference substance name:
- 1,8-diazabicyclo[5.4.0]undec-7-ene
- EC Number:
- 229-713-7
- EC Name:
- 1,8-diazabicyclo[5.4.0]undec-7-ene
- Cas Number:
- 6674-22-2
- Molecular formula:
- C9H16N2
- IUPAC Name:
- 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
- Test material form:
- other: not applicable
- Details on test material:
- Not applicable; QSAR predictions based on chemical structure and physicochemcial
Constituent 1
- Radiolabelling:
- other: not applicable
Test animals
- Species:
- other: not applicable
- Details on test animals or test system and environmental conditions:
- not applicable
Administration / exposure
- Route of administration:
- other: prediction of bioavailability relates to oral exposure
- Details on exposure:
- not applicable
Results and discussion
Main ADME resultsopen allclose all
- Type:
- absorption
- Results:
- oral bioavailability is predicted
- Type:
- metabolism
- Results:
- no hepatic metabolism is predicted
- Type:
- metabolism
- Results:
- no dermal metabolism is predicted
Toxicokinetic / pharmacokinetic studies
- Details on absorption:
- Oral bioavailability is predicted (Lipinski Rule / OASIS)
- Details on distribution in tissues:
- No data
- Details on excretion:
- No data
Metabolite characterisation studies
- Metabolites identified:
- no
- Details on metabolites:
- Rat liver S9 metabolism simulator does not predict any metabolites
Skin metabolism simulator does not predict any metabolites
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): bioaccumulation potential cannot be judged based on study results
Modelling using OECD QSAR Toolbox version 3.1 predicts bioavailability and no metabolism. - Executive summary:
QSAR predictions of toxicokinetic properties were obatined, based on chemical structure and physicochemical properties of the substance. Modelling using OECD QSAR Toolbox version 3.1 predicts bioavailability (Lipinski's Rule/OASIS) and no hepatic or dermal metabolism.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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