Registration Dossier
Registration Dossier
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
