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Diss Factsheets
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EC number: 204-879-3 | CAS number: 128-13-2
- 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
Endpoint summary
Administrative data
Key value for chemical safety assessment
Genetic toxicity in vitro
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Remarks:
- Type of genotoxicity: other: QSAR prediction
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Mutagenicity was estimated employing three powerful QSAR predictors (ACD/ToxSuite, Leadscope, CAESAR) and one decision rule system (Toxtree), in order to apply a consensus approach and improve the reliability of the predictions. Moreover, experimental results cited in the Australian Public Assessment Report for Ursodeoxycholic acid (2010) support the lack of mutagenicity of the biliary acid.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- ACD/ToxSuite genotoxicity predictions are provided together with a reliability index which assesses the degree of confidence of the prediction. The reliability index (RI) takes into account the similarity of the tested compound with the training set compounds and the consistency of experimental values for similar compounds.
Leadscope FDA Model Applier considers a Positive Prediction Probability under 0.5 to be negative and a probability greater than or equal to 0.5 to be positive. The reliability of the prediction is evaluated by two parameters: “Model Fragment Count” (which verifies that the test compound contains a significant number of fragments that are present in the prediction model. The prediction is reliable if at least one model fragment is present in the test compound) and “30% Similarity Training Neighbours” Count (which verifies the number of compound structurally similar to the test compound).
CAESAR assesses the reliability of the mutagenicity prediction according to many parameters, e.g. descriptor ranges, chemical similarity index, fragments similarity, …
The mutagenicity of ursodeoxycholic acid was also evaluated according to the Benigni/Bossa rulebase for mutagenicity implemented in Toxtree. The positive or negative mutagenicity is predicted according to decision rules based on the identification of Structural Alerts (SA) for mutagenicity, i.e. molecular functional groups or substructures known to be linked to the mutagenicity activity of chemicals. - GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Species / strain:
- S. typhimurium, other: uspecified
- Metabolic activation:
- not specified
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- not specified
- Untreated negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Remarks on result:
- other: other: unspecified
- Remarks:
- Migrated from field 'Test system'.
- Conclusions:
- Interpretation of results (migrated information):
other: not mutagen
A consensus approach was applied which led to the conclusion that ursodeoxycholic acid is NOT MUTAGEN. - Executive summary:
ACD/Tox Suite predictions for Ursodeoxycholic Acid UDCA and Chenodeoxycholic Acid - CDCA were inconclusive; the predictions for 7 Keto-Lithocholic Acid - 7K-LCA and 12 Keto-Chenodeoxycholic Acid - 12K-CDCA were NOT reliable, while Cholic Acid – CA was predicted borderline, with a positive prediction probability equal to 0.61.
Leadscope predicted all the five biliary acids NEGATIVE.
All CAESAR predictions were reliable and predicted the five biliary acids NEGATIVE.
Toxtree predicted the biliary acids NEGATIVE.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
ACD/Tox Suite, Leadscope, CAESAR and Toxtree led to the conclusion that the five biliary acids are NOT MUTAGEN. Results are supported by the experimental results (Ames test, gene mutation assay at the TK locus in mouse lymphoma L5178Y cells, assay of sister chromatid exchanges in cultured human lymphocytes and micronucleus test in hamsters) cited in the Australian Public Assessment Report for Ursodeoxycholic acid (2010).
Justification for selection of genetic toxicity endpoint
Mutagenicity was estimated employing three powerful QSAR predictors (ACD/ToxSuite, Leadscope, CAESAR) and one decision rule system (Toxtree), in order to apply a consensus approach and improve the reliability of the predictions. Moreover, experimental results cited in the Australian Public Assessment Report for Ursodeoxycholic acid (2010) support the lack of mutagenicity of the biliary acid.
Justification for classification or non-classification
According to regulation 1272/2008/EC, ursodeoxycholic acid is not classified for the mutagenicity.
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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