[No public or meaningful name is available]

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

11 September - 30 October 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 guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

EC No. 440/2008

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

3-(aminocarbonyl)-1-ß-D-ribofuranosyl-pyridinium bromide

Cas Number:

78687-39-5

Molecular formula:

C11H15BrN2O5

IUPAC Name:

3-(aminocarbonyl)-1-ß-D-ribofuranosyl-pyridinium bromide

impurity 1

Reference substance name:

Nicotinamide

EC Number:

202-713-4

EC Name:

Nicotinamide

Cas Number:

98-92-0

Molecular formula:

C6H6N2O

IUPAC Name:

nicotinamide

impurity 2

Reference substance name:

Methanol

EC Number:

200-659-6

EC Name:

Methanol

Cas Number:

67-56-1

Molecular formula:

CH4O

IUPAC Name:

methanol

impurity 3

Reference substance name:

Ethyl acetate

EC Number:

205-500-4

EC Name:

Ethyl acetate

Cas Number:

141-78-6

Molecular formula:

C4H8O2

IUPAC Name:

ethyl acetate

impurity 4

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

Oxidane

impurity 5

Reference substance name:

inorganic salts by sulphated ash

IUPAC Name:

inorganic salts by sulphated ash

impurity 6

Reference substance name:

Bromic acid

EC Number:

232-158-3

EC Name:

Bromic acid

Cas Number:

7789-31-3

Molecular formula:

BrHO3

IUPAC Name:

bromic acid

impurity 7

Reference substance name:

Unknown impurities.

Molecular formula:

Not available as unknown impurities.

IUPAC Name:

Unknown impurities.

Test material form:

solid

Details on test material:

Batch / Lot No. 1000146/01

Specific details on test material used for the study:

Batch No.: 1000146/01
Storage Conditions: Freezer (approx. -15 °C)

Results and discussion

Melting / freezing point

Key result

Melting / freezing pt.:

123.14 °C

Atm. press.:

>= 1 007.9 - <= 1 010.5 hPa

Decomposition:

yes

Decomp. temp.:

ca. 130 °C

Any other information on results incl. tables

During the heating phase a distinct endothermic effect was observed in the temperature range of 110 – 130 °C, which can be assigned to the melting of the test item. This endothermic effect is directly followed by an exothermic effect in the temperature range of 130 – 160 °C with an average decomposition energy of -80 J/g. A second exothermic effect could be observed in the temperature range 160 – 220 °C with an average decomposition energy of -70 J/g. This exothermic effect is directly followed by an endothermic effect. A third brought endothermic effect could be observed in the temperature range of 280 – 390 °C.

Results of the DSC-measurement

No.	Sample weight (mg)	Onset of effect (°C)	Range of effect (°C)	Weight loss (mg)	Atmospheric pressure (hPa)
PN18331	7.30	123.16	110 -130 (endo) 130 -160 (exo) 160 -220 (exo) 220 -230 (endo) 280 -390 (endo)	5.45	1010.5
PN18382	7.13	123.11	110 -130 (endo) 130 -160 (exo) 160 -220 (exo) 220 -240 (endo) 270 -390 (endo)	5.31	1007.9

As the onset temperatures of the first endothermic effect in both tests deviate by less than 0.5 K from their mean value of 123.14 °C, this temperature can be used as melting point. The test item has a melting point of 123.14 °C accompanied by its decomposition.

Applicant's summary and conclusion

Conclusions:

The test item Nicotinamide-beta-D-riboside bromide (CAS no. 78687-39-5) has a melting point of 123.14 °C at atmospheric pressure (1007.9 – 1010.5 hPa) accompanied by its decomposition starting at a temperature of approx. 130 °C as determined by differential scanning calorimetry according to Regulation EC No. 440/2008 Method A.1. and OECD Test Guideline 102 (1995).

Executive summary:

The test item Nicotinamide-beta-D-riboside bromide (CAS no. 78687-39-5) has a melting point of 123.14 °C at atmospheric pressure (1007.9 – 1010.5 hPa) accompanied by its decomposition starting at a temperature of approx. 130 °C as determined by differential scanning calorimetry according to Regulation EC No. 440/2008 Method A.1. and OECD Test Guideline 102 (1995).