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Diss Factsheets

Administrative data

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
The experimental start date was 14 May 2019, and the experimental completion date was 16 May 2019.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2019
Report date:
2019

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7200 (Melting Point / Melting Range)
Version / remarks:
Melting Point/Melting Range. March 1998.
Deviations:
yes
Remarks:
Melting or boiling, is indicated by a deviation from the base line in the heat flow record. Because melting and boiling are processes in which heat is consumed, the deviation from the base line is in the endothermic direction for these processes.
Qualifier:
according to guideline
Guideline:
other: EC A.1
Version / remarks:
Melting/Freezing Temperature. March 04, 2016.
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Version / remarks:
Melting Point / Melting Range. July 27, 1995.
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
differential scanning calorimetry

Test material

Constituent 1
Chemical structure
Reference substance name:
(2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxy-phenyl)methyl]quinuclidin-3-amine
EC Number:
831-973-7
Cas Number:
147116-67-4
Molecular formula:
C32H40N2O
IUPAC Name:
(2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxy-phenyl)methyl]quinuclidin-3-amine
Test material form:
solid
Details on test material:
White to off-white powder.
Storage Conditions: At room temperature.

Results and discussion

Melting / freezing point
Key result
Melting / freezing pt.:
ca. 131.9 °C
Atm. press.:
ca. 101 325 Pa
Decomposition:
yes
Decomp. temp.:
>= 325 °C
Sublimation:
no

Any other information on results incl. tables

Experiment

1

2

Sample amount (mg)

1.82

1.38

Initial temperature (°C)

25

25

Rate (°C/minute)

20

20

End temperature (°C)

400

150

Applicant's summary and conclusion

Conclusions:
The melting and boiling temperature of Maropitant base (CJ-11,972) were determined by DSC.
The melting temperature of the test item was 131.9°C (405.0K).
Reaction and/or decomposition of the test item was observed during DSC experiments starting at 325°C (598K). Boiling of the test item was not observed below the temperature at which reaction and/or decomposition started. Based on this, the test item has no boiling temperature.
Executive summary:

The melting temperature of the test item was 131.9°C (405.0K).