Registration Dossier
Registration Dossier
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EC number: 604-568-6 | CAS number: 147118-40-9
Additional toxicological data
Administrative data
- Endpoint:
- additional toxicological information
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Materials and methods
- Type of study / information:
- (Q)SAR method report
- GLP compliance:
- no
Test material
- Reference substance name:
- methyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
- EC Number:
- 604-568-6
- Cas Number:
- 147118-40-9
- Molecular formula:
- C23H30FN3O6S
- IUPAC Name:
- methyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
- Reference substance name:
- (3R,5S,6E)-methyl-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate
- IUPAC Name:
- (3R,5S,6E)-methyl-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate
Constituent 1
Constituent 2
Results and discussion
Any other information on results incl. tables
Alert concerning carcinogenicity was detected with Derek and ToxCheck in silico tools. Based on alert argumentations, methyl ester of Rosuvastatin was predicted to posses plausible likelihood of carcinogenicity being a simple purine or pyrimidine or its derivative. Alerts concerning hepatotoxicity and nephrotoxicity were detected only with Derek. Due to 1,3-dihydroxypropane or derivative structure, methyl ester of Rosuvastatin was predicted to have only equivocal likelihood of being hepatotoxic and nephrotoxic. No structural alerts concerning chromosome damage, genotoxicity, hERG channel inhibition, irritation, miscellaneous endpoints, mutagenicity, ocular toxicity, reproductive toxicity, respiratory sensitization, skin sensitization and thyroid toxicity were reported with DEREK or ToxCheck.
Applicant's summary and conclusion
- Conclusions:
- According to DEREK (Q)SAR prediction tool, Rosuvastatin MER is not expected as genotoxic, irritatating, mutagenic, ocular and reproductive toxic, respiratoryand skin sensitizer and thyroid toxic.
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