Registration Dossier
Registration Dossier
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EC number: 205-086-5 | CAS number: 132-98-9
Respiratory sensitisation
Administrative data
- Endpoint:
- respiratory sensitisation, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2021
- 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:
- see attached justification
Data source
Reference
- Reference Type:
- other:
- Title:
- Unnamed
- Year:
- 2 021
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: ECHA Guidance on information requirements and chemical safety assessment - Chapter R.06: QSARs and grouping of chemicals
Test material
- Reference substance name:
- Phenoxymethylpenicillin
- EC Number:
- 201-722-0
- EC Name:
- Phenoxymethylpenicillin
- Cas Number:
- 87-08-1
- Molecular formula:
- C16H18N2O5S
- IUPAC Name:
- (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Constituent 1
Test animals
- Species:
- other: human (in vitro)
Results and discussion
- Results:
- The substance is estimated to be a respiratory sensitiser
Any other information on results incl. tables
| Exp | Battery | CASE Ultra | Leadscope | SciQSAR |
Respiratory Sensitisation in Humans |
| POS_IN | POS_IN | POS_IN | POS_IN |
Applicant's summary and conclusion
- Conclusions:
- According to the result of the Battery algorithm, applied on CASE Ultra, Leadscope Predictive Data Miner and SciQSAR models, the systematic sub‐structural analysis related to the respiratory sensitisation property of Penicillin V potassium estimated a positive activity.
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