Dihydronicotinamide-adenine dinucleotide, disodium salt

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

12 October 2017- 02 February 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

from 27 July 1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

Dihydronicotinamide-adenine dinucleotide, disodium salt

EC Number:

210-123-3

EC Name:

Dihydronicotinamide-adenine dinucleotide, disodium salt

Cas Number:

606-68-8

Molecular formula:

C21H27N7O14P2.2Na

IUPAC Name:

disodium [(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl ({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate

impurity 1

Reference substance name:

Dihydronicotinamide-adenine dinucleotide

EC Number:

200-393-0

EC Name:

Dihydronicotinamide-adenine dinucleotide

Cas Number:

58-68-4

Molecular formula:

C21H29N7O14P2

IUPAC Name:

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

impurity 2

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

Oxidane

Test material form:

solid: crystalline

Remarks:

crystaline powder

Details on test material:

Batch No.: 18243100
Storage conditions: Store at -15 to -25°C,
Handling: Keep frozen on dry ice.

Results and discussion

Melting / freezing point

Key result

Atm. press.:

1 016.1 hPa

Decomposition:

yes

Remarks:

No melting point up to the test items decomposition temperature

Decomp. temp.:

140 °C

Any other information on results incl. tables

The thermograms of the DSC runs PN14552 and PN14553 in open aluminium crucibles are shown in Figure 2 and Figure 3. In the temperature range of 140 – 300 °C an exothermic effect can be observed, with an average decomposition energy of -280 J/g. No further thermal effects could be observed up to the maximum test temperature of 500 °C. Since no endothermic effects could be observed up the decomposition of the test item starting at a temperature of approx. 140 °C, it can be stated that the test item ß-NADH, disodium salt (CAS no. 606-68-8) has no melting and boiling point.

No.	Sample weight (mg)	Onset of effect (°C)	Range of effect (°C)	Weight loss (mg)	Atmospheric pressure (hPa)
1	7.65	150	150 – 290 (exo)	2.71	1016.1
2	6.19	140	140 – 300 (exo)	2.25	1016.1

Applicant's summary and conclusion

Conclusions:

The test item ß-NADH, disodium salt (CAS no. 606-68-8) has no melting point up to its decomposition starting at a temperature of approx. 140 °C at atmospheric pressure (1016 hPa) 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 ß-NADH, disodium salt (CAS no. 606-68-8) has no melting point up to its decomposition starting at a temperature of approx. 140 °C at atmospheric pressure (1016 hPa) as determined by differential scanning calorimetry according to Regulation EC No. 440/2008 Method A.1. and OECD Test Guideline 102 (1995).