Registration Dossier
Registration Dossier
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EC number: 604-047-3 | CAS number: 137863-20-8
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- Dec 2018 - Apr 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7370 (Dissociation constants in water)
- GLP compliance:
- yes
- Dissociating properties:
- not determined
- No.:
- #1
- Remarks on result:
- not determinable because of methodological limitations
- Conclusions:
- It was not possible to determine the pKa values of Valsartan Step 9 experimentally. As an alternative, the pKa values were calculated using the Perrin calculation method.
Based on the calculations, the pKa of Valsartan Step 9 was 4.38.
Reference
The pKa values for acidic and basic groups in the molecular structure of the test item were calculated using the Perrin calculation method.
Description of key information
It was not possible to determine the pKa values of Valsartan Step 9 experimentally. As an
alternative, the pKa values were calculated using the Perrin calculation method.
Based on the calculations, the pKa of Valsartan Step 9 was 4.38.
Key value for chemical safety assessment
- pKa at 20°C:
- 4.38
Additional information
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