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Toxicological information

Developmental toxicity / teratogenicity

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Administrative data

Endpoint:
developmental toxicity
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 and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
QSAR prediction:Accepted DART QSAR method for chemicals properties assessment.. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals.

Data source

Referenceopen allclose all

Reference Type:
other: QSAR model
Title:
Unnamed
Year:
2014
Reference Type:
publication
Title:
Comparison of developmental toxicology of Aspirin in rats and rabbits when administered throughout organogenesis or during sensitive windows of development
Author:
Cappon GD, Gupta U, Cook JC, Tassinari MS, Hurtt ME
Year:
2003
Bibliographic source:
Birth Defects Research (part B) 68:38-46

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: QSAR Toolbox Version 3.3.5.17
Principles of method if other than guideline:
This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals.
GLP compliance:
no
Remarks:
not applicable DART QSAR method for chemicals properties assessment..
Limit test:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
S-allyl O-pentyl dithiocarbonate
EC Number:
220-977-9
EC Name:
S-allyl O-pentyl dithiocarbonate
Cas Number:
2956-12-9
Molecular formula:
C9H16OS2
IUPAC Name:
(pentyloxy)(prop-2-en-1-ylsulfanyl)methanethione

Test animals

Species:
rat
Strain:
other: QSAR model

Administration / exposure

Route of administration:
other: QSAR model
Vehicle:
other: QSAR model
Details on exposure:
This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals. The database include a set of 716 chemicals (664 positive, 16 negative, and 36 with insufficient data) that have been evaluated for their DART potential. These chemicals were grouped into 25 different categories, and 129 sub-categories, based on defined receptor binding and chemical properties, and when known, their MOA. Data is separated into two types of endpoints: developmental and reproductive toxicity. Detailed information for the effect associated with observed data is available in the metadata information of the database.
Analytical verification of doses or concentrations:
no
Details on mating procedure:
QSAR model
Duration of treatment / exposure:
QSAR model
Frequency of treatment:
QSAR model
Duration of test:
QSAR model
Control animals:
other: QSAR model

Examinations

Maternal examinations:
This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals. The database include a set of 716 chemicals (664 positive, 16 negative, and 36 with insufficient data) that have been evaluated for their DART potential. These chemicals were grouped into 25 different categories, and 129 sub-categories, based on defined receptor binding and chemical properties, and when known, their MOA. Data is separated into two types of endpoints: developmental and reproductive toxicity. Detailed information for the effect associated with observed data is available in the metadata information of the database.
Fetal examinations:
This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals. The database include a set of 716 chemicals (664 positive, 16 negative, and 36 with insufficient data) that have been evaluated for their DART potential. These chemicals were grouped into 25 different categories, and 129 sub-categories, based on defined receptor binding and chemical properties, and when known, their MOA. Data is separated into two types of endpoints: developmental and reproductive toxicity. Detailed information for the effect associated with observed data is available in the metadata information of the database.

Results and discussion

Results: maternal animals

Maternal developmental toxicity

Details on maternal toxic effects:
Maternal toxic effects:yes

Details on maternal toxic effects:
No adverse effects on the highest dose tested according the DART QSAR method for chemicals properties assessment..
This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals. The database include a set of 716 chemicals (664 positive, 16 negative, and 36 with insufficient data) that have been evaluated for their DART potential.

Effect levels (maternal animals)

Dose descriptor:
NOAEL
Effect level:
385 mg/kg bw/day (actual dose received)
Based on:
test mat.
Basis for effect level:
other: developmental toxicity

Results (fetuses)

Fetal body weight changes:
no effects observed
Details on embryotoxic / teratogenic effects:
Embryotoxic / teratogenic effects:no effects

Effect levels (fetuses)

Basis for effect level:
other: Embryotoxic / teratogenic effects:no effects
Remarks on result:
other: No adverse effects on the highest dose tested according the DART QSAR method for chemicals properties assessment.. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals.

Fetal abnormalities

Abnormalities:
not specified

Overall developmental toxicity

Developmental effects observed:
not specified

Any other information on results incl. tables

See attached QSAR study report

Applicant's summary and conclusion

Conclusions:
NOAEL for developmental toxicity was 385 mg/kg bw/day (No adverse effects on the highest dose tested) for S-allyl O-pentyl dithiocarbonate and does not cause developmental toxicity.
Developmental & Reproductive Toxicity (DART): Not known precedent reproductive and developmental toxic potential (DART scheme v.1.0)


Executive summary:

Profiling results:

DNA binding by OECD: No alert found

Est rogen Receptor Binding :Non binder, non cyclic structure

OECD HPV Chemical Categories \;Not categorized

Developmental & Reproductive Toxicity (DART): Not known precedent reproductive and developmental toxic potential (DART scheme v.1.0)