Registration Dossier
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EC number: 859-869-7 | CAS number: 201419-80-9
Genetic toxicity: in vivo
Administrative data
- Endpoint:
- in vivo mammalian somatic cell study: cytogenicity / erythrocyte micronucleus
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
- Principles of method if other than guideline:
- QSAR
- GLP compliance:
- no
Test material
- Reference substance name:
- 2,4,8,10-tetraoxa-3λ⁶,9λ⁶-dithiaspiro[5.5]undecane-3,3,9,9-tetrone
- EC Number:
- 859-869-7
- Cas Number:
- 201419-80-9
- Molecular formula:
- C5H8O8S2
- IUPAC Name:
- 2,4,8,10-tetraoxa-3λ⁶,9λ⁶-dithiaspiro[5.5]undecane-3,3,9,9-tetrone
- Test material form:
- solid: crystalline
Constituent 1
Results and discussion
Test results
- Key result
- Sex:
- not specified
- Genotoxicity:
- positive
- Toxicity:
- not specified
- Vehicle controls validity:
- not specified
- Negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Remarks on result:
- other: QSAR
Applicant's summary and conclusion
- Conclusions:
- Computational tool: ACD/Percepta
Genotoxicity potential as micronucleus in vivo on rodent for the target 2,4,8,10-Tetraoxa-3,9-
dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide was estimated by (Q)SAR methodology employing a battery of
models, including ACD/Percepta, ChemTunes/ToxGPS and Leadscope. Following a detailed assessment of
the generated (Q)SAR predictions, the most reliable prediction was provided by ACD/Percepta.
ACD/Percepta model for micronucleus in vivo composite (rodent) estimates probability (“p-value”) that a
compound will result positive in the micronucleus test on rodents. The reliability of prediction is assessed in
terms of reliability index (RI), which ranges from 0 to 1 and takes into account the similarity of the target
with the training set compounds and the consistency of experimental values for similar compounds. A
“positive” or “negative” call is provided if the compound can be reliably classified on the basis of p and RI
values (“Undefined” otherwise). ACD/Percepta genotoxicity prediction as micronucleus in vivo (composite)
for the target compound 2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide is positive. - Executive summary:
Genotoxicity - micronucleusin vivoprediction is positive.
It is classifed as Mutagen 1. H340
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