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Physical & Chemical properties

Stability in organic solvents and identity of relevant degradation products

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Administrative data

Endpoint:
stability in organic solvents and identity of relevant degradation products
Remarks:
solvent: ethanol
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: SOP 00191, Version 2
Version / remarks:
SOP (Standard Oparating Procedure) by CURRENTA GmbH, Leverkusen, Germany
Principles of method if other than guideline:
Homogeneity: Visual inspection
Stability: Calculation of the recovery of the test item in ethanol based on the peak Mannich Base (4x, 3x, 2x substituted). The quantification was performed by HPLC-MS
GLP compliance:
yes

Test material

Constituent 1
Chemical structure
Reference substance name:
4-(1-{3,5-Bis[(dimethylamino)methyl]-4-hydroxyphenyl}-1-methylethyl)-2,6-bis[(dimethylamino)methyl]phenol
Molecular formula:
C27H44N4O2
IUPAC Name:
4-(1-{3,5-Bis[(dimethylamino)methyl]-4-hydroxyphenyl}-1-methylethyl)-2,6-bis[(dimethylamino)methyl]phenol
Constituent 2
Chemical structure
Reference substance name:
2,6-Bis[(dimethylamino)methyl]-4-(1-{3-[(dimethylamino)methyl]-4-hydroxyphenyl}- 1-methylethyl)phenol
Molecular formula:
C24H37N3O2
IUPAC Name:
2,6-Bis[(dimethylamino)methyl]-4-(1-{3-[(dimethylamino)methyl]-4-hydroxyphenyl}- 1-methylethyl)phenol
Constituent 3
Chemical structure
Reference substance name:
2-[(Dimethylamino)methyl]-4-(1-{3-[(dimethylamino)methyl]-4-hydroxyphenyl}-1-methylethyl)phenol
Molecular formula:
C21H30N2O2
IUPAC Name:
2-[(Dimethylamino)methyl]-4-(1-{3-[(dimethylamino)methyl]-4-hydroxyphenyl}-1-methylethyl)phenol
impurity 1
Reference substance name:
Unknown impurities
IUPAC Name:
Unknown impurities
impurity 2
Chemical structure
Reference substance name:
Xylene
EC Number:
215-535-7
EC Name:
Xylene
Cas Number:
1330-20-7
Molecular formula:
C8H10
IUPAC Name:
Benzene, dimethyl-
impurity 3
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
Cas Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water
impurity 4
Reference substance name:
Sulphated ash
IUPAC Name:
Sulphated ash
Test material form:
solid: bulk
Details on test material:
- Name of test material (as cited in study report): HPP 12879-1

Results and discussion

Test substance stable:
yes
Remarks:
According to SOP 00191 Version 2, the 0.01 mg/mL and 423 mg/mL formulation of the test item in ethanol are homogeneous and stable for at least 24 hour at room temperature.

Any other information on results incl. tables

Homogeneity:

The formulation 0.01 mg/mL and 423 mg/mL are clear solutions and therefore homogeneous.

Stability:

Calculation of recovery of the test item in ethanol based on peak Mannich Base (4x substituted)

Nominal value

mg/mL

Theoretical value

Mg/mL

Content test item

mg/mL

Recovery as % of theoretical value

Start

After 24 hours

Start

After 24 hours

0.01

0.0101

0.0102

0.0098

101

97

423

423

419

430

99

101

 

Calculation of recovery of the test item in ethanol based on peak Mannich Base (3x substituted)

Nominal value

mg/mL

Theoretical value

Mg/mL

Content test item

mg/mL

Recovery as % of theoretical value

Start

After 24 hours

Start

After 24 hours

0.01

0.0101

0.0103

0.0104

102

103

423

423

432

424

102

100

 

Calculation of recovery of the test item in ethanol based on peak Mannich Base (2x substituted)

Nominal value

mg/mL

Theoretical value

Mg/mL

Content test item

mg/mL

Recovery as % of theoretical value

Start

After 24 hours

Start

After 24 hours

0.01

0.0101

0.0104

0.0101

103

100

423

423

435

445

103

105

 

Applicant's summary and conclusion

Conclusions:
The 0.01 mg/mL and 423 mg/mL formulations of HPP 12879-1 in ethanol are homogeneous and stable for at least 24 hours at room temperature.
Executive summary:

According to SOP 00191 Version 2, the 0.01 mg/mL and 423 mg/mL formulations of HPP 12879 -1 in ethanol are clear and therefore homogeneous. They are stable for at least 24 hour at room temperature.

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